CID 6913697

Cis-2-isobutyl-9-(3-dimethylaminopropylidene)thioxanthene hydrochloride

Structural Information

Molecular Formula
C22H27NS
SMILES
CC(C)CC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C/CCN(C)C
InChI
InChI=1S/C22H27NS/c1-16(2)14-17-11-12-22-20(15-17)18(9-7-13-23(3)4)19-8-5-6-10-21(19)24-22/h5-6,8-12,15-16H,7,13-14H2,1-4H3/b18-9-
InChIKey
BYJSJUHIBWCWTG-NVMNQCDNSA-N
Compound name
(3Z)-N,N-dimethyl-3-[2-(2-methylpropyl)thioxanthen-9-ylidene]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18643 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19371 180.9
[M+Na]+ 360.17565 186.4
[M-H]- 336.17915 186.3
[M+NH4]+ 355.22025 197.7
[M+K]+ 376.14959 180.8
[M+H-H2O]+ 320.18369 173.0
[M+HCOO]- 382.18463 194.6
[M+CH3COO]- 396.20028 220.3
[M+Na-2H]- 358.16110 181.7
[M]+ 337.18588 183.9
[M]- 337.18698 183.9
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.