CID 3059260

76267-24-8

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CC1=CC=CC=C1NC(=O)N(C(C)C)C(=O)N
InChI
InChI=1S/C12H17N3O2/c1-8(2)15(11(13)16)12(17)14-10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H2,13,16)(H,14,17)
InChIKey
AHRCXISKLKKXRB-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-(2-methylphenyl)-1-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 156.0
[M+Na]+ 258.12130 160.5
[M-H]- 234.12480 160.5
[M+NH4]+ 253.16590 173.1
[M+K]+ 274.09524 160.4
[M+H-H2O]+ 218.12934 148.6
[M+HCOO]- 280.13028 180.3
[M+CH3COO]- 294.14593 202.4
[M+Na-2H]- 256.10675 157.1
[M]+ 235.13153 154.6
[M]- 235.13263 154.6
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

patents stripe