CID 9589325

Brn 3639019

Structural Information

Molecular Formula
C30H23N7O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=CC=C3)\N=NC4=CC=C(C=C4)C(=O)N/N=C/C5=CC=CC=C5
InChI
InChI=1S/C30H23N7O2/c1-21-32-27-15-9-8-14-26(27)30(39)37(21)36-28(23-12-6-3-7-13-23)34-33-25-18-16-24(17-19-25)29(38)35-31-20-22-10-4-2-5-11-22/h2-20H,1H3,(H,35,38)/b31-20+,34-33?,36-28-
InChIKey
CWBNJGHAPCGVOK-XNLVTFMISA-N
Compound name
N-[(E)-benzylideneamino]-4-[[(Z)-N-(2-methyl-4-oxoquinazolin-3-yl)-C-phenylcarbonimidoyl]diazenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.19135 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.19863 223.3
[M+Na]+ 536.18057 227.7
[M-H]- 512.18407 238.0
[M+NH4]+ 531.22517 227.0
[M+K]+ 552.15451 221.6
[M+H-H2O]+ 496.18861 207.2
[M+HCOO]- 558.18955 250.7
[M+CH3COO]- 572.20520 230.6
[M+Na-2H]- 534.16602 231.2
[M]+ 513.19080 224.6
[M]- 513.19190 224.6
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.