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 179.8
[M+Na]+ 360.13924 185.8
[M-H]- 336.14274 188.0
[M+NH4]+ 355.18384 194.7
[M+K]+ 376.11318 178.6
[M+H-H2O]+ 320.14728 171.7
[M+HCOO]- 382.14822 198.9
[M+CH3COO]- 396.16387 190.1
[M+Na-2H]- 358.12469 180.1
[M]+ 337.14947 181.6
[M]- 337.15057 181.6
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.