CID 3074300

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

Structural Information

Molecular Formula
C17H18N4O
SMILES
CN1C2=C(CNC(C3=CC=CN32)C4=CC=C(C=C4)OC)C=N1
InChI
InChI=1S/C17H18N4O/c1-20-17-13(11-19-20)10-18-16(15-4-3-9-21(15)17)12-5-7-14(22-2)8-6-12/h3-9,11,16,18H,10H2,1-2H3
InChIKey
UDUCRYFUVGAMGA-UHFFFAOYSA-N
Compound name
9-(4-methoxyphenyl)-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

294.14807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 170.0
[M+Na]+ 317.13729 180.5
[M-H]- 293.14079 175.1
[M+NH4]+ 312.18189 184.7
[M+K]+ 333.11123 177.2
[M+H-H2O]+ 277.14533 160.3
[M+HCOO]- 339.14627 187.6
[M+CH3COO]- 353.16192 180.9
[M+Na-2H]- 315.12274 172.3
[M]+ 294.14752 169.6
[M]- 294.14862 169.6
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.