CID 3059274

76267-39-5

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC1=CC=CC=C1NC(=O)N(CC(CO)O)C(=O)N
InChI
InChI=1S/C12H17N3O4/c1-8-4-2-3-5-10(8)14-12(19)15(11(13)18)6-9(17)7-16/h2-5,9,16-17H,6-7H2,1H3,(H2,13,18)(H,14,19)
InChIKey
NTJJWENJBGOPEI-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(2,3-dihydroxypropyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.129196 161.4
[M+Na]+ 290.111138 164.7
[M-H]- 266.114644 163.0
[M+NH4]+ 285.155743 175.5
[M+K]+ 306.085078 164.3
[M+H-H2O]+ 250.119180 153.9
[M+HCOO]- 312.120121 183.1
[M+CH3COO]- 326.135771 202.3
[M+Na-2H]- 288.096586 161.7
[M]+ 267.12137142 159.0
[M]- 267.12246858 159.0
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

patents stripe