CID 6444974

Cis-2-benzyloxyprothixene

Structural Information

Molecular Formula
C25H25NOS
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C25H25NOS/c1-26(2)16-8-12-21-22-11-6-7-13-24(22)28-25-15-14-20(17-23(21)25)27-18-19-9-4-3-5-10-19/h3-7,9-15,17H,8,16,18H2,1-2H3/b21-12+
InChIKey
XRGHWTDFAFDNQE-CIAFOILYSA-N
Compound name
(3E)-N,N-dimethyl-3-(2-phenylmethoxythioxanthen-9-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.16568 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17296 192.5
[M+Na]+ 410.15490 198.3
[M-H]- 386.15840 200.8
[M+NH4]+ 405.19950 206.5
[M+K]+ 426.12884 191.6
[M+H-H2O]+ 370.16294 182.8
[M+HCOO]- 432.16388 207.9
[M+CH3COO]- 446.17953 201.7
[M+Na-2H]- 408.14035 195.4
[M]+ 387.16513 195.7
[M]- 387.16623 195.7
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.