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
1
Annotation Hits

0
References

3
Patents

192.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 144.6
[M+Na]+ 215.11549 150.4
[M-H]- 191.11899 149.3
[M+NH4]+ 210.16009 164.0
[M+K]+ 231.08943 149.9
[M+H-H2O]+ 175.12353 138.0
[M+HCOO]- 237.12447 168.9
[M+CH3COO]- 251.14012 193.3
[M+Na-2H]- 213.10094 147.2
[M]+ 192.12572 143.7
[M]- 192.12682 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