CID 6857845

Benzo(e)naphtho(1,2-b)thiepin, 7,12-dihydro-7-(3-(dimethylamino)propylidene)-, hydrochloride

Structural Information

Molecular Formula
C23H23NS
SMILES
CN(C)CC/C=C/1\C2=C(C3=CC=CC=C3C=C2)SCC4=CC=CC=C41
InChI
InChI=1S/C23H23NS/c1-24(2)15-7-12-21-19-10-5-4-9-18(19)16-25-23-20-11-6-3-8-17(20)13-14-22(21)23/h3-6,8-14H,7,15-16H2,1-2H3/b21-12-
InChIKey
GGSKMJNMTZUZJV-MTJSOVHGSA-N
Compound name
(3Z)-N,N-dimethyl-3-(10-thiatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.15512 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16240 180.7
[M+Na]+ 368.14434 193.8
[M+NH4]+ 363.18894 191.0
[M+K]+ 384.11828 182.9
[M-H]- 344.14784 186.7
[M+Na-2H]- 366.12979 187.5
[M]+ 345.15457 185.1
[M]- 345.15567 185.1
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.