CID 80195609

1-methyl-1h,2h,3h,4h,5h-pyrido[3,4-b][1,4]diazepine dihydrochloride

Structural Information

Molecular Formula
C9H13N3
SMILES
CN1CCCNC2=C1C=CN=C2
InChI
InChI=1S/C9H13N3/c1-12-6-2-4-11-8-7-10-5-3-9(8)12/h3,5,7,11H,2,4,6H2,1H3
InChIKey
GSNZZHCHOQZJIJ-UHFFFAOYSA-N
Compound name
1-methyl-2,3,4,5-tetrahydropyrido[3,4-b][1,4]diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 132.7
[M+Na]+ 186.10017 139.0
[M-H]- 162.10367 132.8
[M+NH4]+ 181.14477 148.7
[M+K]+ 202.07411 139.5
[M+H-H2O]+ 146.10821 124.5
[M+HCOO]- 208.10915 148.5
[M+CH3COO]- 222.12480 143.9
[M+Na-2H]- 184.08562 140.6
[M]+ 163.11040 125.9
[M]- 163.11150 125.9
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.