CID 6435608

Brn 0919757

Structural Information

Molecular Formula
C17H20N2S
SMILES
CC1=NC\2=C(S1)CCC3=CC=CC=C3/C2=C\CCNC
InChI
InChI=1S/C17H20N2S/c1-12-19-17-15(8-5-11-18-2)14-7-4-3-6-13(14)9-10-16(17)20-12/h3-4,6-8,18H,5,9-11H2,1-2H3/b15-8+
InChIKey
ACADDVKGQNBRTF-OVCLIPMQSA-N
Compound name
(3E)-N-methyl-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

284.1347 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 165.9
[M+Na]+ 307.12392 176.1
[M+NH4]+ 302.16852 174.7
[M+K]+ 323.09786 168.8
[M-H]- 283.12742 169.1
[M+Na-2H]- 305.10937 170.2
[M]+ 284.13415 168.8
[M]- 284.13525 168.8
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.