CID 3054129

1h-imidazole, 1-(2,2-bis((2-methylpropyl)thio)-2-(2-naphthalenyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C23H30N2S2
SMILES
CC(C)CSC(CN1C=CN=C1)(C2=CC3=CC=CC=C3C=C2)SCC(C)C
InChI
InChI=1S/C23H30N2S2/c1-18(2)14-26-23(27-15-19(3)4,16-25-12-11-24-17-25)22-10-9-20-7-5-6-8-21(20)13-22/h5-13,17-19H,14-16H2,1-4H3
InChIKey
AAVIPKAHIRCGLK-UHFFFAOYSA-N
Compound name
1-[2,2-bis(2-methylpropylsulfanyl)-2-naphthalen-2-ylethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

398.18503 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19231 196.1
[M+Na]+ 421.17425 203.0
[M-H]- 397.17775 200.3
[M+NH4]+ 416.21885 208.6
[M+K]+ 437.14819 196.0
[M+H-H2O]+ 381.18229 188.2
[M+HCOO]- 443.18323 203.4
[M+CH3COO]- 457.19888 221.8
[M+Na-2H]- 419.15970 194.7
[M]+ 398.18448 202.5
[M]- 398.18558 202.5
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.