CID 19590

3769-57-1

Structural Information

Molecular Formula
C17H19ClN4O4
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H19ClN4O4/c1-12-10-13(21(6-8-23)7-9-24)2-4-16(12)19-20-17-5-3-14(22(25)26)11-15(17)18/h2-5,10-11,23-24H,6-9H2,1H3
InChIKey
NBEXAEYARUBYDV-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

348
Patents

378.1095 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11678 186.2
[M+Na]+ 401.09872 198.6
[M+NH4]+ 396.14332 192.5
[M+K]+ 417.07266 194.2
[M-H]- 377.10222 192.5
[M+Na-2H]- 399.08417 193.1
[M]+ 378.10895 189.8
[M]- 378.11005 189.8
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