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

7
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 159.5
[M+Na]+ 278.12975 164.7
[M+NH4]+ 273.17435 165.8
[M+K]+ 294.10369 160.9
[M-H]- 254.13325 160.7
[M+Na-2H]- 276.11520 162.6
[M]+ 255.13998 160.6
[M]- 255.14108 160.6
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