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]+ 264.170676 164.7
[M+Na]+ 286.152618 168.6
[M-H]- 262.156124 168.7
[M+NH4]+ 281.197223 180.8
[M+K]+ 302.126558 167.5
[M+H-H2O]+ 246.160660 156.8
[M+HCOO]- 308.161601 189.4
[M+CH3COO]- 322.177251 207.5
[M+Na-2H]- 284.138066 166.0
[M]+ 263.16285142 164.6
[M]- 263.16394858 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.