CID 780643

N-benzyl-2-phenyl-4-quinazolinamine

Structural Information

Molecular Formula
C21H17N3
SMILES
C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H17N3/c1-3-9-16(10-4-1)15-22-21-18-13-7-8-14-19(18)23-20(24-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23,24)
InChIKey
WXCHSHPXEPXKFN-UHFFFAOYSA-N
Compound name
N-benzyl-2-phenylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

22
Patents

311.14224 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14952 173.6
[M+Na]+ 334.13146 180.8
[M-H]- 310.13496 180.8
[M+NH4]+ 329.17606 185.2
[M+K]+ 350.10540 173.0
[M+H-H2O]+ 294.13950 161.9
[M+HCOO]- 356.14044 194.6
[M+CH3COO]- 370.15609 183.7
[M+Na-2H]- 332.11691 182.7
[M]+ 311.14169 171.8
[M]- 311.14279 171.8
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