CID 3040317

52030-16-7

Structural Information

Molecular Formula
C16H26N2O
SMILES
CCCC(CCC)C(C)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C16H26N2O/c1-4-9-14(10-5-2)13(3)17-16(19)18-15-11-7-6-8-12-15/h6-8,11-14H,4-5,9-10H2,1-3H3,(H2,17,18,19)
InChIKey
NJZFRAJPLGNTBZ-UHFFFAOYSA-N
Compound name
1-phenyl-3-(3-propylhexan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 167.7
[M+Na]+ 285.19372 176.2
[M+NH4]+ 280.23832 174.5
[M+K]+ 301.16766 170.0
[M-H]- 261.19722 169.9
[M+Na-2H]- 283.17917 172.2
[M]+ 262.20395 169.2
[M]- 262.20505 169.2
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.