CID 213287

Brn 2006168

Structural Information

Molecular Formula
C23H26O2S
SMILES
CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)SC3=CC=CC=C3)C
InChI
InChI=1S/C23H26O2S/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
InChIKey
XQDKOBSVNLYHHA-UHFFFAOYSA-N
Compound name
(3-phenylsulfanylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.16534 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17262 180.6
[M+Na]+ 389.15456 188.2
[M-H]- 365.15806 190.4
[M+NH4]+ 384.19916 190.9
[M+K]+ 405.12850 183.4
[M+H-H2O]+ 349.16260 173.1
[M+HCOO]- 411.16354 196.2
[M+CH3COO]- 425.17919 218.4
[M+Na-2H]- 387.14001 179.5
[M]+ 366.16479 187.6
[M]- 366.16589 187.6
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.