CID 24651

Vufb2774

Structural Information

Molecular Formula
C22H31NOS
SMILES
CCCCSC1=C(C=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C)C
InChI
InChI=1S/C22H31NOS/c1-5-6-16-25-21-13-12-20(17-18(21)2)22(24-15-14-23(3)4)19-10-8-7-9-11-19/h7-13,17,22H,5-6,14-16H2,1-4H3
InChIKey
FPDPQNLEJFMKQB-UHFFFAOYSA-N
Compound name
2-[(4-butylsulfanyl-3-methylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.21265 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21993 189.4
[M+Na]+ 380.20187 193.4
[M-H]- 356.20537 196.3
[M+NH4]+ 375.24647 203.1
[M+K]+ 396.17581 189.0
[M+H-H2O]+ 340.20991 180.2
[M+HCOO]- 402.21085 206.5
[M+CH3COO]- 416.22650 222.8
[M+Na-2H]- 378.18732 187.6
[M]+ 357.21210 195.5
[M]- 357.21320 195.5
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.