CID 6445840

2-propen-1-amine, n,n-dimethyl-3-phenyl-3-(2-thienyl)-, 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]+ 244.115446 157.9
[M+Na]+ 266.097388 164.1
[M-H]- 242.100894 166.0
[M+NH4]+ 261.141993 177.9
[M+K]+ 282.071328 160.6
[M+H-H2O]+ 226.105430 150.7
[M+HCOO]- 288.106371 178.3
[M+CH3COO]- 302.122021 196.4
[M+Na-2H]- 264.082836 158.3
[M]+ 243.10762142 159.8
[M]- 243.10871858 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.