CID 15991573

3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C23H17F3N4O
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)N
InChI
InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKey
YEIASMOUYNOXGA-UHFFFAOYSA-N
Compound name
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

422.13544 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14272 202.3
[M+Na]+ 445.12466 211.0
[M-H]- 421.12816 206.4
[M+NH4]+ 440.16926 209.5
[M+K]+ 461.09860 202.6
[M+H-H2O]+ 405.13270 188.3
[M+HCOO]- 467.13364 217.5
[M+CH3COO]- 481.14929 209.8
[M+Na-2H]- 443.11011 205.5
[M]+ 422.13489 197.6
[M]- 422.13599 197.6
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