CID 6434861

N 7008

Structural Information

Molecular Formula
C20H21NOS
SMILES
CC(=O)C1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C20H21NOS/c1-14(22)15-10-11-20-18(13-15)16(8-6-12-21(2)3)17-7-4-5-9-19(17)23-20/h4-5,7-11,13H,6,12H2,1-3H3/b16-8+
InChIKey
DCAQTZFBQRYLGZ-LZYBPNLTSA-N
Compound name
1-[(9E)-9-[3-(dimethylamino)propylidene]thioxanthen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14168 174.6
[M+Na]+ 346.12362 181.2
[M-H]- 322.12712 180.5
[M+NH4]+ 341.16822 191.9
[M+K]+ 362.09756 176.0
[M+H-H2O]+ 306.13166 167.1
[M+HCOO]- 368.13260 189.4
[M+CH3COO]- 382.14825 215.7
[M+Na-2H]- 344.10907 176.6
[M]+ 323.13385 177.7
[M]- 323.13495 177.7
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.