CID 2340496

1803605-68-6

Structural Information

Molecular Formula
C12H21N3OS
SMILES
C1CCCC(CC1)NC(=O)CSC2=NCCN2
InChI
InChI=1S/C12H21N3OS/c16-11(9-17-12-13-7-8-14-12)15-10-5-3-1-2-4-6-10/h10H,1-9H2,(H,13,14)(H,15,16)
InChIKey
MINNXTQGIRDHAI-UHFFFAOYSA-N
Compound name
N-cycloheptyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

255.14053 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14781 160.0
[M+Na]+ 278.12975 160.6
[M-H]- 254.13325 162.2
[M+NH4]+ 273.17435 173.6
[M+K]+ 294.10369 161.3
[M+H-H2O]+ 238.13779 150.7
[M+HCOO]- 300.13873 170.8
[M+CH3COO]- 314.15438 167.9
[M+Na-2H]- 276.11520 157.9
[M]+ 255.13998 151.1
[M]- 255.14108 151.1
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.