CID 401145

Nsc714091

Structural Information

Molecular Formula
C23H32N2O4
SMILES
CCCNC(=O)C1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC
InChI
InChI=1S/C23H32N2O4/c1-4-5-24-21(26)17-9-19(28-2)20(29-3)10-18(17)25-22(27)23-11-14-6-15(12-23)8-16(7-14)13-23/h9-10,14-16H,4-8,11-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKey
BYCYKFZHTFPAPA-UHFFFAOYSA-N
Compound name
N-[4,5-dimethoxy-2-(propylcarbamoyl)phenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.2362 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.24348 194.1
[M+Na]+ 423.22542 192.9
[M-H]- 399.22892 190.9
[M+NH4]+ 418.27002 211.0
[M+K]+ 439.19936 190.6
[M+H-H2O]+ 383.23346 185.7
[M+HCOO]- 445.23440 199.5
[M+CH3COO]- 459.25005 235.9
[M+Na-2H]- 421.21087 200.3
[M]+ 400.23565 197.1
[M]- 400.23675 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.