CID 6435045

68263-34-3

Structural Information

Molecular Formula
C22H27NS
SMILES
CC(C)C1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C22H27NS/c1-16(2)17-11-12-22-21(14-17)20(10-7-13-23(3)4)19-9-6-5-8-18(19)15-24-22/h5-6,8-12,14,16H,7,13,15H2,1-4H3/b20-10+
InChIKey
YXTSWTQOWZASEA-KEBDBYFISA-N
Compound name
(3E)-N,N-dimethyl-3-(2-propan-2-yl-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18643 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19371 180.6
[M+Na]+ 360.17565 184.7
[M-H]- 336.17915 187.3
[M+NH4]+ 355.22025 196.5
[M+K]+ 376.14959 184.0
[M+H-H2O]+ 320.18369 175.0
[M+HCOO]- 382.18463 194.1
[M+CH3COO]- 396.20028 190.0
[M+Na-2H]- 358.16110 180.9
[M]+ 337.18588 180.4
[M]- 337.18698 180.4
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.