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 187.0
[M+Na]+ 390.13252 203.9
[M+NH4]+ 385.17712 195.0
[M+K]+ 406.10646 193.7
[M-H]- 366.13602 196.1
[M+Na-2H]- 388.11797 200.1
[M]+ 367.14275 192.1
[M]- 367.14385 192.1
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.