CID 6444717

Cis-2-n-amyl-9-(3-dimethylaminopropylidene)thioxanthene fumarate hydrate

Structural Information

Molecular Formula
C23H29NS
SMILES
CCCCCC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C23H29NS/c1-4-5-6-10-18-14-15-23-21(17-18)19(12-9-16-24(2)3)20-11-7-8-13-22(20)25-23/h7-8,11-15,17H,4-6,9-10,16H2,1-3H3/b19-12+
InChIKey
SWOYSEFWNUDUDV-XDHOZWIPSA-N
Compound name
(3E)-N,N-dimethyl-3-(2-pentylthioxanthen-9-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.20206 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20934 185.7
[M+Na]+ 374.19128 199.4
[M+NH4]+ 369.23588 196.0
[M+K]+ 390.16522 186.5
[M-H]- 350.19478 191.4
[M+Na-2H]- 372.17673 191.8
[M]+ 351.20151 190.0
[M]- 351.20261 190.0
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.