CID 19590

Ethanol, 2,2'-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bis-

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 187.3
[M+Na]+ 401.09872 192.2
[M-H]- 377.10222 194.9
[M+NH4]+ 396.14332 198.7
[M+K]+ 417.07266 184.7
[M+H-H2O]+ 361.10676 183.2
[M+HCOO]- 423.10770 210.8
[M+CH3COO]- 437.12335 221.4
[M+Na-2H]- 399.08417 192.0
[M]+ 378.10895 190.9
[M]- 378.11005 190.9
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