CID 10832101

Vuf8504

Structural Information

Molecular Formula
C21H16N4O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C21H16N4O2/c1-27-15-11-9-14(10-12-15)21(26)25-19-16-6-2-3-7-17(16)23-20(24-19)18-8-4-5-13-22-18/h2-13H,1H3,(H,23,24,25,26)
InChIKey
TTYULORVZLXLQA-UHFFFAOYSA-N
Compound name
4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

356.12732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13460 185.1
[M+Na]+ 379.11654 202.3
[M+NH4]+ 374.16114 192.3
[M+K]+ 395.09048 193.4
[M-H]- 355.12004 191.4
[M+Na-2H]- 377.10199 196.6
[M]+ 356.12677 189.5
[M]- 356.12787 189.5
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