CID 414145

2-dodecylsulfanyl-4,5-dihydro-1h-imidazole

Structural Information

Molecular Formula
C15H30N2S
SMILES
CCCCCCCCCCCCSC1=NCCN1
InChI
InChI=1S/C15H30N2S/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-16-12-13-17-15/h2-14H2,1H3,(H,16,17)
InChIKey
UAJHYEQEXZNPOT-UHFFFAOYSA-N
Compound name
2-dodecylsulfanyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.21298 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.22026 168.4
[M+Na]+ 293.20220 172.4
[M-H]- 269.20570 166.3
[M+NH4]+ 288.24680 184.1
[M+K]+ 309.17614 167.8
[M+H-H2O]+ 253.21024 160.3
[M+HCOO]- 315.21118 181.1
[M+CH3COO]- 329.22683 195.7
[M+Na-2H]- 291.18765 166.1
[M]+ 270.21243 171.1
[M]- 270.21353 171.1
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.