CID 22598

Ethanol, 2-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)methylamino)-

Structural Information

Molecular Formula
C15H14Cl2N4O3
SMILES
CN(CCO)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H14Cl2N4O3/c1-20(6-7-22)11-4-2-10(3-5-11)18-19-15-13(16)8-12(21(23)24)9-14(15)17/h2-5,8-9,22H,6-7H2,1H3
InChIKey
MPIGKGDPQRWZLU-UHFFFAOYSA-N
Compound name
2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1029
Patents

368.04428 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.05156 184.7
[M+Na]+ 391.03350 191.2
[M-H]- 367.03700 192.9
[M+NH4]+ 386.07810 197.8
[M+K]+ 407.00744 183.3
[M+H-H2O]+ 351.04154 181.8
[M+HCOO]- 413.04248 205.0
[M+CH3COO]- 427.05813 219.8
[M+Na-2H]- 389.01895 189.4
[M]+ 368.04373 189.6
[M]- 368.04483 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe