PubChemLite - 320337-48-2 (C26H19ClFN3O3)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CO)Cl

InChI

InChI=1S/C26H19ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-12,15,32H,13-14H2,(H,29,30,31)

InChIKey

KWZZYAKRBYRQTG-UHFFFAOYSA-N

Compound name

[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methanol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	476.11718	213.0
[M+Na]+	498.09912	223.5
[M-H]-	474.10262	223.0
[M+NH4]+	493.14372	219.1
[M+K]+	514.07306	215.6
[M+H-H2O]+	458.10716	200.3
[M+HCOO]-	520.10810	227.9
[M+CH3COO]-	534.12375	221.7
[M+Na-2H]-	496.08457	215.3
[M]+	475.10935	218.9
[M]-	475.11045	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.11718

213.0

[M+Na]+

498.09912

223.5

[M-H]-

474.10262

223.0

[M+NH4]+

493.14372

219.1

[M+K]+

514.07306

215.6

[M+H-H2O]+

458.10716

200.3

[M+HCOO]-

520.10810

227.9

[M+CH3COO]-

534.12375

221.7

[M+Na-2H]-

496.08457

215.3

[M]+

475.10935

218.9

[M]-

475.11045

218.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

320337-48-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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