CID 105377

66693-26-3

Structural Information

Molecular Formula
C26H29ClN8O8
SMILES
CCC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOCCC#N)CCOCCC#N
InChI
InChI=1S/C26H29ClN8O8/c1-3-25(36)30-20-16-22(33(8-12-42-10-4-6-28)9-13-43-11-5-7-29)24(41-2)17-21(20)31-32-26-19(27)14-18(34(37)38)15-23(26)35(39)40/h14-17H,3-5,8-13H2,1-2H3,(H,30,36)
InChIKey
DQUNXALCFQCDEO-UHFFFAOYSA-N
Compound name
N-[5-[bis[2-(2-cyanoethoxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

616.1797 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.18698 208.8
[M+Na]+ 639.16892 210.6
[M+NH4]+ 634.21352 212.7
[M+K]+ 655.14286 213.9
[M-H]- 615.17242 206.5
[M+Na-2H]- 637.15437 203.6
[M]+ 616.17915 209.3
[M]- 616.18025 209.3
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.