CID 3000349

131645-65-3

Structural Information

Molecular Formula
C15H19N3S
SMILES
C[C@H]1CN2C3=C(CN1CC4CC4)C=CC=C3NC2=S
InChI
InChI=1S/C15H19N3S/c1-10-7-18-14-12(9-17(10)8-11-5-6-11)3-2-4-13(14)16-15(18)19/h2-4,10-11H,5-9H2,1H3,(H,16,19)/t10-/m0/s1
InChIKey
AKFJHUREZCFDBB-JTQLQIEISA-N
Compound name
(11S)-10-(cyclopropylmethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

273.12997 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13725 163.0
[M+Na]+ 296.11919 173.4
[M-H]- 272.12269 167.5
[M+NH4]+ 291.16379 174.5
[M+K]+ 312.09313 169.3
[M+H-H2O]+ 256.12723 155.5
[M+HCOO]- 318.12817 174.7
[M+CH3COO]- 332.14382 173.1
[M+Na-2H]- 294.10464 163.9
[M]+ 273.12942 164.2
[M]- 273.13052 164.2
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.