CID 3016893

Ccris 7414

Structural Information

Molecular Formula
C17H17N5O4
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N(CCO)CCO
InChI
InChI=1S/C17H17N5O4/c18-12-13-11-16(22(25)26)5-6-17(13)20-19-14-1-3-15(4-2-14)21(7-9-23)8-10-24/h1-6,11,23-24H,7-10H2
InChIKey
JOLCVJZULGERDC-UHFFFAOYSA-N
Compound name
2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

355.12805 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.135326 187.9
[M+Na]+ 378.117268 193.2
[M-H]- 354.120774 193.4
[M+NH4]+ 373.161873 197.3
[M+K]+ 394.091208 186.6
[M+H-H2O]+ 338.125310 175.6
[M+HCOO]- 400.126251 211.0
[M+CH3COO]- 414.141901 226.3
[M+Na-2H]- 376.102716 192.2
[M]+ 355.12750142 182.8
[M]- 355.12859858 182.8
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