CID 3074301

5,6-dihydro-6-(3,4-dimethoxyphenyl)-1-methyl-1h,4h-pyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CN1C2=C(CNC(C3=CC=CN32)C4=CC(=C(C=C4)OC)OC)C=N1
InChI
InChI=1S/C18H20N4O2/c1-21-18-13(11-20-21)10-19-17(14-5-4-8-22(14)18)12-6-7-15(23-2)16(9-12)24-3/h4-9,11,17,19H,10H2,1-3H3
InChIKey
ZESQOGUCUCVXBJ-UHFFFAOYSA-N
Compound name
9-(3,4-dimethoxyphenyl)-3-methyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.15863 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 176.9
[M+Na]+ 347.14785 188.8
[M+NH4]+ 342.19245 183.1
[M+K]+ 363.12179 187.0
[M-H]- 323.15135 178.5
[M+Na-2H]- 345.13330 181.5
[M]+ 324.15808 179.0
[M]- 324.15918 179.0
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.