CID 47002944

1240526-32-2

Structural Information

Molecular Formula
C15H28N2O
SMILES
CCC(C)NC(=O)C1CC(NC2C1CCCC2)C
InChI
InChI=1S/C15H28N2O/c1-4-10(2)17-15(18)13-9-11(3)16-14-8-6-5-7-12(13)14/h10-14,16H,4-9H2,1-3H3,(H,17,18)
InChIKey
AWCPYUJDWBZFIX-UHFFFAOYSA-N
Compound name
N-butan-2-yl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.22017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.22745 164.4
[M+Na]+ 275.20939 165.9
[M-H]- 251.21289 164.0
[M+NH4]+ 270.25399 180.0
[M+K]+ 291.18333 162.7
[M+H-H2O]+ 235.21743 157.3
[M+HCOO]- 297.21837 176.0
[M+CH3COO]- 311.23402 198.3
[M+Na-2H]- 273.19484 163.7
[M]+ 252.21962 156.1
[M]- 252.22072 156.1
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.