CID 35924

Dibenzo(b,f)thiepin-10-ethylamine, n,n-dimethyl-11-(2-(dimethylamino)ethoxy)-, maleate (1:2)

Structural Information

Molecular Formula
C22H28N2OS
SMILES
CN(C)CCC1=C(C2=CC=CC=C2SC3=CC=CC=C31)OCCN(C)C
InChI
InChI=1S/C22H28N2OS/c1-23(2)14-13-18-17-9-5-7-11-20(17)26-21-12-8-6-10-19(21)22(18)25-16-15-24(3)4/h5-12H,13-16H2,1-4H3
InChIKey
MMVNLBBAMCJUTF-UHFFFAOYSA-N
Compound name
2-[5-[2-(dimethylamino)ethoxy]benzo[b][1]benzothiepin-6-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19223 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19951 187.1
[M+Na]+ 391.18145 197.8
[M+NH4]+ 386.22605 195.8
[M+K]+ 407.15539 188.8
[M-H]- 367.18495 192.4
[M+Na-2H]- 389.16690 193.2
[M]+ 368.19168 190.8
[M]- 368.19278 190.8
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.