CID 15869329

96662-24-7

Structural Information

Molecular Formula
C22H19N5O2
SMILES
C1=CC=C(C=C1)CN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H19N5O2/c23-15-4-16-26(17-18-5-2-1-3-6-18)21-11-7-19(8-12-21)24-25-20-9-13-22(14-10-20)27(28)29/h1-3,5-14H,4,16-17H2
InChIKey
AJKOAOUQPNLZTF-UHFFFAOYSA-N
Compound name
3-[N-benzyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

385.15387 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.161146 202.6
[M+Na]+ 408.143088 207.5
[M-H]- 384.146594 211.5
[M+NH4]+ 403.187693 211.1
[M+K]+ 424.117028 198.0
[M+H-H2O]+ 368.151130 188.1
[M+HCOO]- 430.152071 227.0
[M+CH3COO]- 444.167721 235.6
[M+Na-2H]- 406.128536 207.1
[M]+ 385.15332142 196.8
[M]- 385.15441858 196.8
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

patents stripe