CID 169502008

Didesmethylchlorprothixene

Structural Information

Molecular Formula
C16H14ClNS
SMILES
C1=CC=C2C(=C1)C(=CCCN)C3=C(S2)C=CC(=C3)Cl
InChI
InChI=1S/C16H14ClNS/c17-11-7-8-16-14(10-11)12(5-3-9-18)13-4-1-2-6-15(13)19-16/h1-2,4-8,10H,3,9,18H2
InChIKey
NNBMGBOYFCXBHF-UHFFFAOYSA-N
Compound name
3-(2-chlorothioxanthen-9-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

287.05356 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06084 160.4
[M+Na]+ 310.04278 169.9
[M-H]- 286.04628 165.0
[M+NH4]+ 305.08738 179.6
[M+K]+ 326.01672 161.8
[M+H-H2O]+ 270.05082 155.0
[M+HCOO]- 332.05176 171.9
[M+CH3COO]- 346.06741 172.0
[M+Na-2H]- 308.02823 164.8
[M]+ 287.05301 162.2
[M]- 287.05411 162.2
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.