CID 3059269

76267-33-9

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CCCCCN(C(=O)N)C(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C14H21N3O2/c1-3-4-7-10-17(13(15)18)14(19)16-12-9-6-5-8-11(12)2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,15,18)(H,16,19)
InChIKey
CVJPVEGCYXUHBG-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-(2-methylphenyl)-1-pentylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 164.7
[M+Na]+ 286.15262 168.6
[M-H]- 262.15612 168.7
[M+NH4]+ 281.19722 180.8
[M+K]+ 302.12656 167.5
[M+H-H2O]+ 246.16066 156.8
[M+HCOO]- 308.16160 189.4
[M+CH3COO]- 322.17725 207.5
[M+Na-2H]- 284.13807 166.0
[M]+ 263.16285 164.6
[M]- 263.16395 164.6
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

No patent data available for this compound.