CID 25140930

2027476-42-0

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

159
Patents

274.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 164.0
[M+Na]+ 297.120958 171.3
[M-H]- 273.124464 166.3
[M+NH4]+ 292.165563 177.9
[M+K]+ 313.094898 165.7
[M+H-H2O]+ 257.129000 150.2
[M+HCOO]- 319.129941 177.4
[M+CH3COO]- 333.145591 205.9
[M+Na-2H]- 295.106406 161.8
[M]+ 274.13119142 155.0
[M]- 274.13228858 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