CID 15604015

Abc294640

Structural Information

Molecular Formula
C23H25ClN2O
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
InChIKey
CAOTVXGYTWCKQE-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

84
References

1131
Patents

380.16553 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17281 185.6
[M+Na]+ 403.15475 187.8
[M-H]- 379.15825 184.8
[M+NH4]+ 398.19935 204.5
[M+K]+ 419.12869 180.9
[M+H-H2O]+ 363.16279 173.8
[M+HCOO]- 425.16373 187.0
[M+CH3COO]- 439.17938 191.3
[M+Na-2H]- 401.14020 194.9
[M]+ 380.16498 186.3
[M]- 380.16608 186.3
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

patents stripe