CID 364219

Nsc630070

Structural Information

Molecular Formula
C23H16BrN3O3
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O
InChI
InChI=1S/C23H16BrN3O3/c1-14-3-2-4-18(11-14)25-22(28)20-13-15-12-19(9-10-21(15)30-23(20)29)27-26-17-7-5-16(24)6-8-17/h2-13H,1H3,(H,25,28)
InChIKey
ZRWOVBFMEXJMJH-UHFFFAOYSA-N
Compound name
6-[(4-bromophenyl)diazenyl]-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.0375 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.04478 202.5
[M+Na]+ 484.02672 212.2
[M-H]- 460.03022 217.9
[M+NH4]+ 479.07132 214.1
[M+K]+ 500.00066 201.6
[M+H-H2O]+ 444.03476 196.8
[M+HCOO]- 506.03570 226.2
[M+CH3COO]- 520.05135 214.3
[M+Na-2H]- 482.01217 209.1
[M]+ 461.03695 223.7
[M]- 461.03805 223.7
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.