CID 6435608

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

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]+ 285.141976 167.4
[M+Na]+ 307.123918 174.3
[M-H]- 283.127424 172.7
[M+NH4]+ 302.168523 185.6
[M+K]+ 323.097858 172.1
[M+H-H2O]+ 267.131960 161.6
[M+HCOO]- 329.132901 182.8
[M+CH3COO]- 343.148551 178.1
[M+Na-2H]- 305.109366 169.0
[M]+ 284.13415142 166.5
[M]- 284.13524858 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.