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]+ 248.20090 164.1
[M+Na]+ 270.18284 167.2
[M-H]- 246.18634 166.5
[M+NH4]+ 265.22744 180.8
[M+K]+ 286.15678 164.8
[M+H-H2O]+ 230.19088 156.9
[M+HCOO]- 292.19182 184.7
[M+CH3COO]- 306.20747 200.3
[M+Na-2H]- 268.16829 164.9
[M]+ 247.19307 164.5
[M]- 247.19417 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.