CID 9571529

Nsc679491

Structural Information

Molecular Formula
C10H12N4O4
SMILES
CCOC(=O)N/N=C(/C1=CC(=CC=C1)[N+](=O)[O-])\N
InChI
InChI=1S/C10H12N4O4/c1-2-18-10(15)13-12-9(11)7-4-3-5-8(6-7)14(16)17/h3-6H,2H2,1H3,(H2,11,12)(H,13,15)
InChIKey
SBCTVAYRVINUER-UHFFFAOYSA-N
Compound name
ethyl N-[(Z)-[amino-(3-nitrophenyl)methylidene]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08586 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 151.3
[M+Na]+ 275.07508 155.6
[M-H]- 251.07858 155.7
[M+NH4]+ 270.11968 166.6
[M+K]+ 291.04902 151.1
[M+H-H2O]+ 235.08312 148.0
[M+HCOO]- 297.08406 179.3
[M+CH3COO]- 311.09971 195.1
[M+Na-2H]- 273.06053 157.5
[M]+ 252.08531 149.0
[M]- 252.08641 149.0
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.