CID 452870

318499-51-3

Structural Information

Molecular Formula
C22H30N2O4
SMILES
CCNC(=O)C1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC
InChI
InChI=1S/C22H30N2O4/c1-4-23-20(25)16-8-18(27-2)19(28-3)9-17(16)24-21(26)22-10-13-5-14(11-22)7-15(6-13)12-22/h8-9,13-15H,4-7,10-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKey
HQGJJPXIORZCJZ-UHFFFAOYSA-N
Compound name
N-[2-(ethylcarbamoyl)-4,5-dimethoxyphenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.22055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22783 189.7
[M+Na]+ 409.20977 189.0
[M-H]- 385.21327 186.8
[M+NH4]+ 404.25437 207.2
[M+K]+ 425.18371 186.8
[M+H-H2O]+ 369.21781 181.5
[M+HCOO]- 431.21875 195.4
[M+CH3COO]- 445.23440 233.2
[M+Na-2H]- 407.19522 196.4
[M]+ 386.22000 192.5
[M]- 386.22110 192.5
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.