CID 3000358

136723-25-6

Structural Information

Molecular Formula
C15H18N2S
SMILES
CC1CC2C3=C(CN1CC=C)C=CC=C3NC2=S
InChI
InChI=1S/C15H18N2S/c1-3-7-17-9-11-5-4-6-13-14(11)12(8-10(17)2)15(18)16-13/h3-6,10,12H,1,7-9H2,2H3,(H,16,18)
InChIKey
VTUNUHGIEDPNGY-UHFFFAOYSA-N
Compound name
11-methyl-10-prop-2-enyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.11908 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12636 161.6
[M+Na]+ 281.10830 168.9
[M-H]- 257.11180 163.6
[M+NH4]+ 276.15290 179.4
[M+K]+ 297.08224 165.8
[M+H-H2O]+ 241.11634 155.7
[M+HCOO]- 303.11728 171.5
[M+CH3COO]- 317.13293 171.6
[M+Na-2H]- 279.09375 160.9
[M]+ 258.11853 158.4
[M]- 258.11963 158.4
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

No patent data available for this compound.