CID 29790

2-(4-dibenzothienylmethyl)-2-imidazoline hydrochloride

Structural Information

Molecular Formula
C16H14N2S
SMILES
C1CN=C(N1)CC2=C3C(=CC=C2)C4=CC=CC=C4S3
InChI
InChI=1S/C16H14N2S/c1-2-7-14-12(5-1)13-6-3-4-11(16(13)19-14)10-15-17-8-9-18-15/h1-7H,8-10H2,(H,17,18)
InChIKey
RAVKEHHPLYJCND-UHFFFAOYSA-N
Compound name
2-(dibenzothiophen-4-ylmethyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.08777 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09505 158.2
[M+Na]+ 289.07699 169.5
[M-H]- 265.08049 164.1
[M+NH4]+ 284.12159 178.3
[M+K]+ 305.05093 162.9
[M+H-H2O]+ 249.08503 151.9
[M+HCOO]- 311.08597 174.8
[M+CH3COO]- 325.10162 170.9
[M+Na-2H]- 287.06244 160.7
[M]+ 266.08722 160.4
[M]- 266.08832 160.4
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.