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 167.4
[M+Na]+ 307.12392 174.3
[M-H]- 283.12742 172.7
[M+NH4]+ 302.16852 185.6
[M+K]+ 323.09786 172.1
[M+H-H2O]+ 267.13196 161.6
[M+HCOO]- 329.13290 182.8
[M+CH3COO]- 343.14855 178.1
[M+Na-2H]- 305.10937 169.0
[M]+ 284.13415 166.5
[M]- 284.13525 166.5
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.