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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.