PubChemLite - Cct241533 (C23H27FN4O4)

Structural Information

Molecular Formula

SMILES

CC(C)([C@@H]1CNC[C@H]1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O

InChI

InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28)/t15-,17-/m1/s1

InChIKey

HZASIAXCPXTISQ-NVXWUHKLSA-N

Compound name

4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxyquinazolin-2-yl]phenol

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]+	443.20891	208.8
[M+Na]+	465.19085	219.2
[M+NH4]+	460.23545	212.4
[M+K]+	481.16479	216.4
[M-H]-	441.19435	209.9
[M+Na-2H]-	463.17630	212.1
[M]+	442.20108	210.3
[M]-	442.20218	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.20891

208.8

[M+Na]+

465.19085

219.2

[M+NH4]+

460.23545

212.4

[M+K]+

481.16479

216.4

[M-H]-

441.19435

209.9

[M+Na-2H]-

463.17630

212.1

[M]+

442.20108

210.3

[M]-

442.20218

210.3

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

Cct241533

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe