CID 24842496

Brn 1261662

Structural Information

Molecular Formula
C19H29N3O2
SMILES
CCCCNC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCCCC2
InChI
InChI=1S/C19H29N3O2/c1-3-4-12-20-19(24)16-8-10-17(11-9-16)21-18(23)15(2)22-13-6-5-7-14-22/h8-11,15H,3-7,12-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKey
SPWRNOCAJVFKQQ-UHFFFAOYSA-N
Compound name
N-butyl-4-(2-piperidin-1-ylpropanoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.22598 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23326 182.9
[M+Na]+ 354.21520 183.1
[M-H]- 330.21870 186.2
[M+NH4]+ 349.25980 193.9
[M+K]+ 370.18914 180.1
[M+H-H2O]+ 314.22324 173.3
[M+HCOO]- 376.22418 199.8
[M+CH3COO]- 390.23983 215.6
[M+Na-2H]- 352.20065 182.1
[M]+ 331.22543 178.4
[M]- 331.22653 178.4
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

No patent data available for this compound.