CID 3008856

(s)-8-chloro-5-methyl-6-(3-methyl-but-2-enyl)-5,6-dihydro-1h, 4h-imidazo[1,5,4-de]quinoxaline-2-thione

Structural Information

Molecular Formula
C15H18ClN3S
SMILES
C[C@H]1CN2C3=C(C=C(C=C3N1CC=C(C)C)Cl)NC2=S
InChI
InChI=1S/C15H18ClN3S/c1-9(2)4-5-18-10(3)8-19-14-12(17-15(19)20)6-11(16)7-13(14)18/h4,6-7,10H,5,8H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKey
BCSFNIGOXUAVMS-JTQLQIEISA-N
Compound name
(10S)-6-chloro-10-methyl-9-(3-methylbut-2-enyl)-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.091 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09828 171.1
[M+Na]+ 330.08022 183.1
[M-H]- 306.08372 171.2
[M+NH4]+ 325.12482 188.1
[M+K]+ 346.05416 174.9
[M+H-H2O]+ 290.08826 165.2
[M+HCOO]- 352.08920 176.9
[M+CH3COO]- 366.10485 181.6
[M+Na-2H]- 328.06567 170.3
[M]+ 307.09045 175.9
[M]- 307.09155 175.9
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.