CID 42769

58528-60-2

Structural Information

Molecular Formula
C17H18Cl2N4O4
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H18Cl2N4O4/c1-11-8-12(22(4-6-24)5-7-25)2-3-16(11)20-21-17-14(18)9-13(23(26)27)10-15(17)19/h2-3,8-10,24-25H,4-7H2,1H3
InChIKey
VJCRGIYTUNCUJU-UHFFFAOYSA-N
Compound name
2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.0705 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.07778 195.7
[M+Na]+ 435.05972 201.5
[M-H]- 411.06322 202.6
[M+NH4]+ 430.10432 206.5
[M+K]+ 451.03366 193.2
[M+H-H2O]+ 395.06776 192.8
[M+HCOO]- 457.06870 214.1
[M+CH3COO]- 471.08435 226.5
[M+Na-2H]- 433.04517 198.6
[M]+ 412.06995 201.1
[M]- 412.07105 201.1
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

No patent data available for this compound.