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 157.5
[M+Na]+ 289.07699 172.4
[M+NH4]+ 284.12159 168.2
[M+K]+ 305.05093 165.0
[M-H]- 265.08049 162.2
[M+Na-2H]- 287.06244 165.1
[M]+ 266.08722 161.6
[M]- 266.08832 161.6
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.