CID 2830221

Cbdive_013223

Structural Information

Molecular Formula
C18H22N4O2S
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NNC(=O)C4=CN=CC=C4
InChI
InChI=1S/C18H22N4O2S/c23-15(14-2-1-3-19-10-14)21-22-17(25)20-16(24)18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,10-13H,4-9H2,(H,21,23)(H2,20,22,24,25)
InChIKey
CNLDZYBZPRZPGB-UHFFFAOYSA-N
Compound name
N-[(pyridine-3-carbonylamino)carbamothioyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14636 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15364 170.5
[M+Na]+ 381.13558 168.8
[M-H]- 357.13908 165.4
[M+NH4]+ 376.18018 187.7
[M+K]+ 397.10952 166.5
[M+H-H2O]+ 341.14362 163.6
[M+HCOO]- 403.14456 172.3
[M+CH3COO]- 417.16021 175.6
[M+Na-2H]- 379.12103 181.7
[M]+ 358.14581 170.4
[M]- 358.14691 170.4
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

No patent data available for this compound.