CID 1715125

Northiadene hydrochloride

Structural Information

Molecular Formula
C18H19NS
SMILES
CNCC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31
InChI
InChI=1S/C18H19NS/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10-
InChIKey
FTELXJYVTOFJAI-YBEGLDIGSA-N
Compound name
(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1
Patents

281.1238 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13108 163.2
[M+Na]+ 304.11302 175.0
[M+NH4]+ 299.15762 172.9
[M+K]+ 320.08696 165.1
[M-H]- 280.11652 168.0
[M+Na-2H]- 302.09847 169.9
[M]+ 281.12325 166.9
[M]- 281.12435 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe