CID 6445840

N,n-dimethyl-3-phenyl-3-(2-thienyl)-2-propen-1-amine hydrochloride

Structural Information

Molecular Formula
C15H17NS
SMILES
CN(C)C/C=C(\C1=CC=CC=C1)/C2=CC=CS2
InChI
InChI=1S/C15H17NS/c1-16(2)11-10-14(15-9-6-12-17-15)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/b14-10+
InChIKey
ISICVVZJSBLQRX-GXDHUFHOSA-N
Compound name
(E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10817 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11545 157.9
[M+Na]+ 266.09739 164.1
[M-H]- 242.10089 166.0
[M+NH4]+ 261.14199 177.9
[M+K]+ 282.07133 160.6
[M+H-H2O]+ 226.10543 150.7
[M+HCOO]- 288.10637 178.3
[M+CH3COO]- 302.12202 196.4
[M+Na-2H]- 264.08284 158.3
[M]+ 243.10762 159.8
[M]- 243.10872 159.8
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.