CID 9571031

Brn 5138514

Structural Information

Molecular Formula
C23H19N5O
SMILES
CC1=CC(=CC=C1)N=N/C(=N\N2C(=NC3=CC=CC=C3C2=O)C)/C4=CC=CC=C4
InChI
InChI=1S/C23H19N5O/c1-16-9-8-12-19(15-16)25-26-22(18-10-4-3-5-11-18)27-28-17(2)24-21-14-7-6-13-20(21)23(28)29/h3-15H,1-2H3/b26-25?,27-22-
InChIKey
ZKQHXJRVAZPGDT-UVAYCXRGSA-N
Compound name
N'-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)iminobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15897 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16625 193.4
[M+Na]+ 404.14819 201.5
[M-H]- 380.15169 205.2
[M+NH4]+ 399.19279 203.8
[M+K]+ 420.12213 195.5
[M+H-H2O]+ 364.15623 180.0
[M+HCOO]- 426.15717 219.8
[M+CH3COO]- 440.17282 203.9
[M+Na-2H]- 402.13364 201.0
[M]+ 381.15842 195.7
[M]- 381.15952 195.7
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.