CID 3052751

Thiazolidine, 3-(4-(p-(2-bornyloxy)phenyl)butyl)-, hydrochloride

Structural Information

Molecular Formula
C23H35NOS
SMILES
CC1(C2CCC1(C(C2)OC3=CC=C(C=C3)CCCCN4CCSC4)C)C
InChI
InChI=1S/C23H35NOS/c1-22(2)19-11-12-23(22,3)21(16-19)25-20-9-7-18(8-10-20)6-4-5-13-24-14-15-26-17-24/h7-10,19,21H,4-6,11-17H2,1-3H3
InChIKey
HSUGSVFAAQGWDA-UHFFFAOYSA-N
Compound name
3-[4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]phenyl]butyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.24393 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.25121 194.2
[M+Na]+ 396.23315 200.4
[M-H]- 372.23665 201.7
[M+NH4]+ 391.27775 216.8
[M+K]+ 412.20709 195.5
[M+H-H2O]+ 356.24119 188.7
[M+HCOO]- 418.24213 206.5
[M+CH3COO]- 432.25778 203.9
[M+Na-2H]- 394.21860 189.0
[M]+ 373.24338 197.0
[M]- 373.24448 197.0
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.