CID 3018419

73384-67-5

Structural Information

Molecular Formula
C23H27ClN6O5
SMILES
CCOCCOCCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C
InChI
InChI=1S/C23H27ClN6O5/c1-3-34-13-14-35-12-11-29(10-4-9-25)18-5-8-22(23(16-18)26-17(2)31)28-27-21-7-6-19(30(32)33)15-20(21)24/h5-8,15-16H,3-4,10-14H2,1-2H3,(H,26,31)
InChIKey
KXTGCBFHJRKDQM-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4-nitrophenyl)diazenyl]-5-[2-cyanoethyl-[2-(2-ethoxyethoxy)ethyl]amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

502.17316 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.18044 225.7
[M+Na]+ 525.16238 229.4
[M-H]- 501.16588 232.3
[M+NH4]+ 520.20698 231.3
[M+K]+ 541.13632 222.8
[M+H-H2O]+ 485.17042 212.6
[M+HCOO]- 547.17136 245.6
[M+CH3COO]- 561.18701 256.0
[M+Na-2H]- 523.14783 226.4
[M]+ 502.17261 227.2
[M]- 502.17371 227.2
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.