CID 9571528

Nsc679490

Structural Information

Molecular Formula
C10H12BrN3O2
SMILES
CCOC(=O)N/N=C(/C1=CC(=CC=C1)Br)\N
InChI
InChI=1S/C10H12BrN3O2/c1-2-16-10(15)14-13-9(12)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H2,12,13)(H,14,15)
InChIKey
MTIXACQCJXUBII-UHFFFAOYSA-N
Compound name
ethyl N-[(Z)-[amino-(3-bromophenyl)methylidene]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0113 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01858 154.4
[M+Na]+ 308.00052 162.8
[M-H]- 284.00402 160.9
[M+NH4]+ 303.04512 172.9
[M+K]+ 323.97446 152.0
[M+H-H2O]+ 268.00856 151.4
[M+HCOO]- 330.00950 178.2
[M+CH3COO]- 344.02515 203.5
[M+Na-2H]- 305.98597 159.8
[M]+ 285.01075 171.6
[M]- 285.01185 171.6
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.