CID 4196308

1,1-dibutyl-3-(o-tolyl)urea

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCCCN(CCCC)C(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C16H26N2O/c1-4-6-12-18(13-7-5-2)16(19)17-15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChIKey
JDPKNNMXLNFCSQ-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

262.2045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 167.3
[M+Na]+ 285.19372 171.2
[M-H]- 261.19722 171.4
[M+NH4]+ 280.23832 184.2
[M+K]+ 301.16766 169.3
[M+H-H2O]+ 245.20176 159.5
[M+HCOO]- 307.20270 191.5
[M+CH3COO]- 321.21835 207.5
[M+Na-2H]- 283.17917 169.5
[M]+ 262.20395 169.8
[M]- 262.20505 169.8
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