CID 93484889

Ns00041374

Structural Information

Molecular Formula
C8H10N4O2
SMILES
C1=CC(=CC(=C1)N(C(=O)N)N)C(=O)N
InChI
InChI=1S/C8H10N4O2/c9-7(13)5-2-1-3-6(4-5)12(11)8(10)14/h1-4H,11H2,(H2,9,13)(H2,10,14)
InChIKey
MNLRQZWWNKRFBL-UHFFFAOYSA-N
Compound name
3-[amino(carbamoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.087646 140.7
[M+Na]+ 217.069588 146.1
[M-H]- 193.073094 144.6
[M+NH4]+ 212.114193 158.4
[M+K]+ 233.043528 145.9
[M+H-H2O]+ 177.077630 133.3
[M+HCOO]- 239.078571 167.0
[M+CH3COO]- 253.094221 195.0
[M+Na-2H]- 215.055036 143.3
[M]+ 194.07982142 135.8
[M]- 194.08091858 135.8
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.