CID 3285924

1-butyl-1,3-diphenylurea

Structural Information

Molecular Formula
C17H20N2O
SMILES
CCCCN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O/c1-2-3-14-19(16-12-8-5-9-13-16)17(20)18-15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3,(H,18,20)
InChIKey
WYXXRTPKOPVRGK-UHFFFAOYSA-N
Compound name
1-butyl-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 164.6
[M+Na]+ 291.14678 168.3
[M-H]- 267.15028 171.7
[M+NH4]+ 286.19138 180.3
[M+K]+ 307.12072 165.4
[M+H-H2O]+ 251.15482 155.7
[M+HCOO]- 313.15576 189.9
[M+CH3COO]- 327.17141 205.0
[M+Na-2H]- 289.13223 169.7
[M]+ 268.15701 164.4
[M]- 268.15811 164.4
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