CID 25140930

1036847-90-1

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

152
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 165.7
[M+Na]+ 297.12096 173.9
[M+NH4]+ 292.16556 168.0
[M+K]+ 313.09490 167.1
[M-H]- 273.12446 158.7
[M+Na-2H]- 295.10641 165.3
[M]+ 274.13119 163.5
[M]- 274.13229 163.5
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