CID 38361

Dopamantine

Structural Information

Molecular Formula
C19H25NO3
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NCCC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C19H25NO3/c21-16-2-1-12(8-17(16)22)3-4-20-18(23)19-9-13-5-14(10-19)7-15(6-13)11-19/h1-2,8,13-15,21-22H,3-7,9-11H2,(H,20,23)
InChIKey
ZWKFENYDXISLGK-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

315.18344 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 172.7
[M+Na]+ 338.17266 173.2
[M-H]- 314.17616 168.1
[M+NH4]+ 333.21726 192.3
[M+K]+ 354.14660 168.8
[M+H-H2O]+ 298.18070 165.5
[M+HCOO]- 360.18164 176.7
[M+CH3COO]- 374.19729 178.7
[M+Na-2H]- 336.15811 181.0
[M]+ 315.18289 171.7
[M]- 315.18399 171.7
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