CID 6434477

4h-benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-methyl-, monohydrochloride, (z)-

Structural Information

Molecular Formula
C18H22N2S
SMILES
CC1=NC\2=C(S1)CCC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C18H22N2S/c1-13-19-18-16(9-6-12-20(2)3)15-8-5-4-7-14(15)10-11-17(18)21-13/h4-5,7-9H,6,10-12H2,1-3H3/b16-9+
InChIKey
SHWXURLPSDLJTO-CXUHLZMHSA-N
Compound name
(3E)-N,N-dimethyl-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15036 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15764 170.0
[M+Na]+ 321.13958 180.3
[M+NH4]+ 316.18418 178.9
[M+K]+ 337.11352 173.2
[M-H]- 297.14308 173.5
[M+Na-2H]- 319.12503 174.4
[M]+ 298.14981 173.0
[M]- 298.15091 173.0
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.