CID 94592

60129-67-1

Structural Information

Molecular Formula
C16H17N5O6
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCO
InChI
InChI=1S/C16H17N5O6/c22-9-7-19(8-10-23)13-3-1-12(2-4-13)17-18-15-6-5-14(20(24)25)11-16(15)21(26)27/h1-6,11,22-23H,7-10H2
InChIKey
SHWMLKYICHRJFM-UHFFFAOYSA-N
Compound name
2-[4-[(2,4-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

375.1179 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12518 180.7
[M+Na]+ 398.10712 182.2
[M-H]- 374.11062 187.8
[M+NH4]+ 393.15172 189.3
[M+K]+ 414.08106 172.8
[M+H-H2O]+ 358.11516 179.1
[M+HCOO]- 420.11610 208.7
[M+CH3COO]- 434.13175 215.0
[M+Na-2H]- 396.09257 189.2
[M]+ 375.11735 179.1
[M]- 375.11845 179.1
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

patents stripe