CID 10263564

6-(3-methyl-2-buten-1-yl)-4,5,7,8-tetrahydroimidazo[1,5-g][1,4]diazepin-2(1h)-thione

Structural Information

Molecular Formula
C12H19N3S
SMILES
CC(=CCN1CCC2=CNC(=S)N2CC1)C
InChI
InChI=1S/C12H19N3S/c1-10(2)3-5-14-6-4-11-9-13-12(16)15(11)8-7-14/h3,9H,4-8H2,1-2H3,(H,13,16)
InChIKey
NXAPMFRPHJUZFN-UHFFFAOYSA-N
Compound name
7-(3-methylbut-2-enyl)-5,6,8,9-tetrahydro-2H-imidazo[1,5-d][1,4]diazepine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.12997 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13725 153.6
[M+Na]+ 260.11919 159.6
[M-H]- 236.12269 153.9
[M+NH4]+ 255.16379 169.2
[M+K]+ 276.09313 158.4
[M+H-H2O]+ 220.12723 145.6
[M+HCOO]- 282.12817 163.5
[M+CH3COO]- 296.14382 163.2
[M+Na-2H]- 258.10464 152.0
[M]+ 237.12942 148.9
[M]- 237.13052 148.9
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.