CID 16727526

7-benzyl-6,7,8,9-tetrahydro-5h-imidazo[1,5-d][1,4]diazepine

Structural Information

Molecular Formula
C14H17N3
SMILES
C1CN(CCN2C1=CN=C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H17N3/c1-2-4-13(5-3-1)11-16-7-6-14-10-15-12-17(14)9-8-16/h1-5,10,12H,6-9,11H2
InChIKey
SKHFMSOIAFJXIQ-UHFFFAOYSA-N
Compound name
7-benzyl-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

227.14224 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 151.2
[M+Na]+ 250.13146 157.2
[M-H]- 226.13496 155.4
[M+NH4]+ 245.17606 166.7
[M+K]+ 266.10540 156.0
[M+H-H2O]+ 210.13950 141.4
[M+HCOO]- 272.14044 168.9
[M+CH3COO]- 286.15609 161.9
[M+Na-2H]- 248.11691 156.1
[M]+ 227.14169 146.0
[M]- 227.14279 146.0
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.