CID 3291438

1,3-bis(alpha-methylbenzyl)urea

Structural Information

Molecular Formula
C17H20N2O
SMILES
CC(C1=CC=CC=C1)NC(=O)NC(C)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O/c1-13(15-9-5-3-6-10-15)18-17(20)19-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,18,19,20)
InChIKey
DECSQLJEZMEBEG-UHFFFAOYSA-N
Compound name
1,3-bis(1-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

268.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 165.0
[M+Na]+ 291.14678 168.0
[M-H]- 267.15028 170.8
[M+NH4]+ 286.19138 180.0
[M+K]+ 307.12072 164.8
[M+H-H2O]+ 251.15482 156.6
[M+HCOO]- 313.15576 187.8
[M+CH3COO]- 327.17141 203.4
[M+Na-2H]- 289.13223 168.5
[M]+ 268.15701 162.3
[M]- 268.15811 162.3
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