CID 198057

1-isopropyl-1-(3-tolyl)urea

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC1=CC(=CC=C1)N(C(C)C)C(=O)N
InChI
InChI=1S/C11H16N2O/c1-8(2)13(11(12)14)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H2,12,14)
InChIKey
BOPFLHYLIGVMGZ-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-1-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

192.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 144.6
[M+Na]+ 215.115488 150.4
[M-H]- 191.118994 149.3
[M+NH4]+ 210.160093 164.0
[M+K]+ 231.089428 149.9
[M+H-H2O]+ 175.123530 138.0
[M+HCOO]- 237.124471 168.9
[M+CH3COO]- 251.140121 193.3
[M+Na-2H]- 213.100936 147.2
[M]+ 192.12572142 143.7
[M]- 192.12681858 143.7
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

patents stripe