CID 3046723

Butyl-p-tolylurea

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCCCN(C1=CC=C(C=C1)C)C(=O)N
InChI
InChI=1S/C12H18N2O/c1-3-4-9-14(12(13)15)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,15)
InChIKey
NNTKRQXCSQJNDG-UHFFFAOYSA-N
Compound name
1-butyl-1-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 149.0
[M+Na]+ 229.131118 154.5
[M-H]- 205.134624 153.3
[M+NH4]+ 224.175723 167.9
[M+K]+ 245.105058 153.3
[M+H-H2O]+ 189.139160 142.0
[M+HCOO]- 251.140101 173.9
[M+CH3COO]- 265.155751 195.5
[M+Na-2H]- 227.116566 152.3
[M]+ 206.14135142 149.1
[M]- 206.14244858 149.1
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.