CID 604502

Imidazo(1,5,4-ef)(1,5)benzodiazepine, 4,5,6,7-tetrahydro-2-methyl-

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=NC2=C3N1CCCNC3=CC=C2
InChI
InChI=1S/C11H13N3/c1-8-13-10-5-2-4-9-11(10)14(8)7-3-6-12-9/h2,4-5,12H,3,6-7H2,1H3
InChIKey
XZQXEUVABPWVBS-UHFFFAOYSA-N
Compound name
2-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 139.9
[M+Na]+ 210.100168 149.1
[M-H]- 186.103674 141.4
[M+NH4]+ 205.144773 158.5
[M+K]+ 226.074108 147.4
[M+H-H2O]+ 170.108210 132.3
[M+HCOO]- 232.109151 157.3
[M+CH3COO]- 246.124801 152.0
[M+Na-2H]- 208.085616 147.4
[M]+ 187.11040142 137.0
[M]- 187.11149858 137.0
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.