CID 112904

Urea, 1-butyl-1-phenyl-

Structural Information

Molecular Formula
C11H16N2O
SMILES
CCCCN(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C11H16N2O/c1-2-3-9-13(11(12)14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,14)
InChIKey
GOGYHVOOMHFPAC-UHFFFAOYSA-N
Compound name
1-butyl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

192.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 144.6
[M+Na]+ 215.115488 149.6
[M-H]- 191.118994 148.7
[M+NH4]+ 210.160093 163.7
[M+K]+ 231.089428 148.6
[M+H-H2O]+ 175.123530 137.6
[M+HCOO]- 237.124471 169.9
[M+CH3COO]- 251.140121 191.3
[M+Na-2H]- 213.100936 149.2
[M]+ 192.12572142 143.9
[M]- 192.12681858 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe