CID 16727525

7-(3-methylbut-2-enyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine

Structural Information

Molecular Formula
C12H19N3
SMILES
CC(=CCN1CCC2=CN=CN2CC1)C
InChI
InChI=1S/C12H19N3/c1-11(2)3-5-14-6-4-12-9-13-10-15(12)8-7-14/h3,9-10H,4-8H2,1-2H3
InChIKey
OCCZVEQDNOFXBG-UHFFFAOYSA-N
Compound name
7-(3-methylbut-2-enyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 145.7
[M+Na]+ 228.14712 151.1
[M-H]- 204.15062 146.8
[M+NH4]+ 223.19172 162.4
[M+K]+ 244.12106 151.2
[M+H-H2O]+ 188.15516 136.7
[M+HCOO]- 250.15610 161.9
[M+CH3COO]- 264.17175 156.3
[M+Na-2H]- 226.13257 148.6
[M]+ 205.15735 140.9
[M]- 205.15845 140.9
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.