CID 135599735

1-(5-nitro-4-imidazolyl)-3,3-triazenediethanol

Structural Information

Molecular Formula
C7H12N6O4
SMILES
C1=NC(=C(N1)[N+](=O)[O-])/N=N/N(CCO)CCO
InChI
InChI=1S/C7H12N6O4/c14-3-1-12(2-4-15)11-10-6-7(13(16)17)9-5-8-6/h5,14-15H,1-4H2,(H,8,9)/b11-10+
InChIKey
DVYRQZVNBYRGMN-ZHACJKMWSA-N
Compound name
2-[2-hydroxyethyl-[(E)-(5-nitro-1H-imidazol-4-yl)diazenyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.09201 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09929 144.6
[M+Na]+ 267.08123 149.0
[M-H]- 243.08473 146.0
[M+NH4]+ 262.12583 158.8
[M+K]+ 283.05517 144.8
[M+H-H2O]+ 227.08927 140.2
[M+HCOO]- 289.09021 171.7
[M+CH3COO]- 303.10586 191.2
[M+Na-2H]- 265.06668 153.6
[M]+ 244.09146 143.2
[M]- 244.09256 143.2
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

No patent data available for this compound.