CID 83322

Disperse orange 37

Structural Information

Molecular Formula
C17H15Cl2N5O2
SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3
InChIKey
KHZRTXVUEZJYNE-UHFFFAOYSA-N
Compound name
3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

123
Patents

391.06027 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06755 201.0
[M+Na]+ 414.04949 209.2
[M-H]- 390.05299 207.8
[M+NH4]+ 409.09409 211.9
[M+K]+ 430.02343 199.9
[M+H-H2O]+ 374.05753 190.5
[M+HCOO]- 436.05847 217.6
[M+CH3COO]- 450.07412 234.6
[M+Na-2H]- 412.03494 203.0
[M]+ 391.05972 200.6
[M]- 391.06082 200.6
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