CID 93985

58204-91-4

Structural Information

Molecular Formula
C23H27ClN6O5
SMILES
CC(CCN(CCOC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])C#N)NC(=O)C)OC
InChI
InChI=1S/C23H27ClN6O5/c1-15(35-4)7-8-29(9-10-34-3)18-5-6-21(22(13-18)26-16(2)31)27-28-23-17(14-25)11-19(30(32)33)12-20(23)24/h5-6,11-13,15H,7-10H2,1-4H3,(H,26,31)
InChIKey
IXXHZTCXWOJKTR-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-5-[3-methoxybutyl(2-methoxyethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.17316 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.18044 227.2
[M+Na]+ 525.16238 231.4
[M-H]- 501.16588 234.2
[M+NH4]+ 520.20698 233.0
[M+K]+ 541.13632 225.5
[M+H-H2O]+ 485.17042 214.7
[M+HCOO]- 547.17136 246.3
[M+CH3COO]- 561.18701 257.7
[M+Na-2H]- 523.14783 226.3
[M]+ 502.17261 228.5
[M]- 502.17371 228.5
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.