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]+ 295.155346 170.0
[M+Na]+ 317.137288 180.5
[M-H]- 293.140794 175.1
[M+NH4]+ 312.181893 184.7
[M+K]+ 333.111228 177.2
[M+H-H2O]+ 277.145330 160.3
[M+HCOO]- 339.146271 187.6
[M+CH3COO]- 353.161921 180.9
[M+Na-2H]- 315.122736 172.3
[M]+ 294.14752142 169.6
[M]- 294.14861858 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.