CID 9589329

Brn 3638550

Structural Information

Molecular Formula
C30H23N7O2
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2/N=C(/C4=CC=CC=C4)\N=NC5=CC=C(C=C5)C(=O)NN
InChI
InChI=1S/C30H23N7O2/c31-33-29(38)23-16-18-24(19-17-23)34-35-28(22-11-5-2-6-12-22)36-37-27(20-15-21-9-3-1-4-10-21)32-26-14-8-7-13-25(26)30(37)39/h1-20H,31H2,(H,33,38)/b20-15+,35-34?,36-28-
InChIKey
ZNNMQXHCHIYJLQ-CUJDYLPDSA-N
Compound name
N-[4-(hydrazinecarbonyl)phenyl]imino-N'-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.19135 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.19863 222.1
[M+Na]+ 536.18057 226.2
[M-H]- 512.18407 235.2
[M+NH4]+ 531.22517 225.0
[M+K]+ 552.15451 219.2
[M+H-H2O]+ 496.18861 206.6
[M+HCOO]- 558.18955 247.6
[M+CH3COO]- 572.20520 228.7
[M+Na-2H]- 534.16602 229.0
[M]+ 513.19080 220.9
[M]- 513.19190 220.9
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.