CID 167714471

N-cyclobutyl-n'-{[(4s)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl}ethanediamide

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(=C)[C@H]1CCC(=CC1)CNC(=O)C(=O)NC2CCC2
InChI
InChI=1S/C16H24N2O2/c1-11(2)13-8-6-12(7-9-13)10-17-15(19)16(20)18-14-4-3-5-14/h6,13-14H,1,3-5,7-10H2,2H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKey
LHCILNPUBFDEMQ-CYBMUJFWSA-N
Compound name
N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 171.7
[M+Na]+ 299.172998 171.1
[M-H]- 275.176504 176.3
[M+NH4]+ 294.217603 179.8
[M+K]+ 315.146938 172.3
[M+H-H2O]+ 259.181040 157.9
[M+HCOO]- 321.181981 188.9
[M+CH3COO]- 335.197631 207.3
[M+Na-2H]- 297.158446 169.5
[M]+ 276.18323142 174.2
[M]- 276.18432858 174.2
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.