CID 46892373

Ac-430

Structural Information

Molecular Formula
C19H16FN5O
SMILES
CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C(C4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)
InChIKey
DCRWIATZWHLIPN-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

238
Patents

349.13388 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14116 180.2
[M+Na]+ 372.12310 189.7
[M-H]- 348.12660 183.1
[M+NH4]+ 367.16770 188.8
[M+K]+ 388.09704 181.1
[M+H-H2O]+ 332.13114 168.5
[M+HCOO]- 394.13208 196.8
[M+CH3COO]- 408.14773 189.2
[M+Na-2H]- 370.10855 184.6
[M]+ 349.13333 178.7
[M]- 349.13443 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.