CID 116534

Egk2mp7gjx

Structural Information

Molecular Formula
C23H20BrN5O2
SMILES
C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Br
InChI
InChI=1S/C23H20BrN5O2/c24-22-17-21(29(30)31)11-12-23(22)27-26-19-7-9-20(10-8-19)28(15-4-14-25)16-13-18-5-2-1-3-6-18/h1-3,5-12,17H,4,13,15-16H2
InChIKey
ZAHBEAVYBXUUQZ-UHFFFAOYSA-N
Compound name
3-[4-[(2-bromo-4-nitrophenyl)diazenyl]-N-(2-phenylethyl)anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

477.08005 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.08733 213.5
[M+Na]+ 500.06927 220.9
[M-H]- 476.07277 222.8
[M+NH4]+ 495.11387 222.2
[M+K]+ 516.04321 203.8
[M+H-H2O]+ 460.07731 203.7
[M+HCOO]- 522.07825 236.7
[M+CH3COO]- 536.09390 244.5
[M+Na-2H]- 498.05472 217.3
[M]+ 477.07950 225.2
[M]- 477.08060 225.2
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.