CID 5474214

N 741 (trans)

Structural Information

Molecular Formula
C19H21NOS
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C19H21NOS/c1-20(2)12-6-8-15-16-7-4-5-9-18(16)22-19-11-10-14(21-3)13-17(15)19/h4-5,7-11,13H,6,12H2,1-3H3/b15-8+
InChIKey
ISHNPOMLQRKDEC-OVCLIPMQSA-N
Compound name
(3E)-3-(2-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1344 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14168 170.9
[M+Na]+ 334.12362 178.1
[M-H]- 310.12712 176.9
[M+NH4]+ 329.16822 188.9
[M+K]+ 350.09756 173.2
[M+H-H2O]+ 294.13166 163.3
[M+HCOO]- 356.13260 187.0
[M+CH3COO]- 370.14825 212.6
[M+Na-2H]- 332.10907 174.5
[M]+ 311.13385 175.0
[M]- 311.13495 175.0
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.