CID 207129

Urea, m-toluoyl-

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=CC(=CC=C1)C(=O)NC(=O)N
InChI
InChI=1S/C9H10N2O2/c1-6-3-2-4-7(5-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13)
InChIKey
DIELRVHCSGVAJM-UHFFFAOYSA-N
Compound name
N-carbamoyl-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.07423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 137.4
[M+Na]+ 201.06345 144.1
[M-H]- 177.06695 140.9
[M+NH4]+ 196.10805 156.6
[M+K]+ 217.03739 142.7
[M+H-H2O]+ 161.07149 131.2
[M+HCOO]- 223.07243 162.3
[M+CH3COO]- 237.08808 184.4
[M+Na-2H]- 199.04890 141.8
[M]+ 178.07368 135.2
[M]- 178.07478 135.2
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