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

126
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

literature stripe

Patent stripe

patents stripe