CID 9571028

Brn 5128362

Structural Information

Molecular Formula
C22H17N5O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C(\C3=CC=CC=C3)/N=NC4=CC=CC=C4
InChI
InChI=1S/C22H17N5O/c1-16-23-20-15-9-8-14-19(20)22(28)27(16)26-21(17-10-4-2-5-11-17)25-24-18-12-6-3-7-13-18/h2-15H,1H3/b25-24?,26-21+
InChIKey
ROCKCNQPLUZLJS-WTCIXITDSA-N
Compound name
N'-(2-methyl-4-oxoquinazolin-3-yl)-N-phenyliminobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1433 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15058 187.7
[M+Na]+ 390.13252 195.3
[M-H]- 366.13602 199.3
[M+NH4]+ 385.17712 198.4
[M+K]+ 406.10646 189.5
[M+H-H2O]+ 350.14056 174.4
[M+HCOO]- 412.14150 214.5
[M+CH3COO]- 426.15715 198.3
[M+Na-2H]- 388.11797 196.7
[M]+ 367.14275 189.3
[M]- 367.14385 189.3
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.