CID 93923

Einecs 261-084-4

Structural Information

Molecular Formula
C22H25ClN6O6
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])C#N)OC)N(CCOC)CCOC
InChI
InChI=1S/C22H25ClN6O6/c1-14(30)25-18-11-20(28(5-7-33-2)6-8-34-3)21(35-4)12-19(18)26-27-22-15(13-24)9-16(29(31)32)10-17(22)23/h9-12H,5-8H2,1-4H3,(H,25,30)
InChIKey
MVVWURWLNQHWMV-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

504.1524 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.15968 224.1
[M+Na]+ 527.14162 229.2
[M-H]- 503.14512 231.5
[M+NH4]+ 522.18622 229.9
[M+K]+ 543.11556 224.0
[M+H-H2O]+ 487.14966 211.5
[M+HCOO]- 549.15060 244.4
[M+CH3COO]- 563.16625 257.5
[M+Na-2H]- 525.12707 224.4
[M]+ 504.15185 227.1
[M]- 504.15295 227.1
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.