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

4
Patents

267.12192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 161.4
[M+Na]+ 290.11114 164.7
[M-H]- 266.11464 163.0
[M+NH4]+ 285.15574 175.5
[M+K]+ 306.08508 164.3
[M+H-H2O]+ 250.11918 153.9
[M+HCOO]- 312.12012 183.1
[M+CH3COO]- 326.13577 202.3
[M+Na-2H]- 288.09659 161.7
[M]+ 267.12137 159.0
[M]- 267.12247 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