CID 25140930

4-[(2,5-dioxopyrrol-1-yl)methyl]-n-prop-2-ynylcyclohexane-1-carboxamide

Structural Information

Molecular Formula
C15H18N2O3
SMILES
C#CCNC(=O)C1CCC(CC1)CN2C(=O)C=CC2=O
InChI
InChI=1S/C15H18N2O3/c1-2-9-16-15(20)12-5-3-11(4-6-12)10-17-13(18)7-8-14(17)19/h1,7-8,11-12H,3-6,9-10H2,(H,16,20)
InChIKey
RAFMOXYVCNOXTP-UHFFFAOYSA-N
Compound name
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-prop-2-ynylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

274.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 164.0
[M+Na]+ 297.12096 171.3
[M-H]- 273.12446 166.3
[M+NH4]+ 292.16556 177.9
[M+K]+ 313.09490 165.7
[M+H-H2O]+ 257.12900 150.2
[M+HCOO]- 319.12994 177.4
[M+CH3COO]- 333.14559 205.9
[M+Na-2H]- 295.10641 161.8
[M]+ 274.13119 155.0
[M]- 274.13229 155.0
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

patents stripe