CID 3040310

52030-09-8

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCC(CCC)C(C)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C16H25NO/c1-4-9-14(10-5-2)13(3)17-16(18)15-11-7-6-8-12-15/h6-8,11-14H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKey
WTVMFODXCZMRAM-UHFFFAOYSA-N
Compound name
N-(3-propylhexan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 164.1
[M+Na]+ 270.182838 167.2
[M-H]- 246.186344 166.5
[M+NH4]+ 265.227443 180.8
[M+K]+ 286.156778 164.8
[M+H-H2O]+ 230.190880 156.9
[M+HCOO]- 292.191821 184.7
[M+CH3COO]- 306.207471 200.3
[M+Na-2H]- 268.168286 164.9
[M]+ 247.19307142 164.5
[M]- 247.19416858 164.5
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.