CID 215407

Alpha-(1-methyl-2-(2-thenylamino)ethyl)benzhydrol maleate

Structural Information

Molecular Formula
C21H23NOS
SMILES
C1=CC=C(C(=C1)CCCNCC2=CC=CS2)C3=CC=CC=C3CO
InChI
InChI=1S/C21H23NOS/c23-16-18-8-2-4-12-21(18)20-11-3-1-7-17(20)9-5-13-22-15-19-10-6-14-24-19/h1-4,6-8,10-12,14,22-23H,5,9,13,15-16H2
InChIKey
JSTBSLFOXBECRE-UHFFFAOYSA-N
Compound name
[2-[2-[3-(thiophen-2-ylmethylamino)propyl]phenyl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15002 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15730 181.4
[M+Na]+ 360.13924 194.7
[M+NH4]+ 355.18384 190.6
[M+K]+ 376.11318 184.7
[M-H]- 336.14274 188.6
[M+Na-2H]- 358.12469 191.0
[M]+ 337.14947 185.9
[M]- 337.15057 185.9
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.