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 189.0
[M+Na]+ 391.18145 193.0
[M-H]- 367.18495 197.1
[M+NH4]+ 386.22605 203.9
[M+K]+ 407.15539 194.5
[M+H-H2O]+ 351.18949 182.1
[M+HCOO]- 413.19043 206.0
[M+CH3COO]- 427.20608 229.6
[M+Na-2H]- 389.16690 191.2
[M]+ 368.19168 193.2
[M]- 368.19278 193.2
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.