CID 3074297

1,4,5,6-tetrahydro-6-(4-chlorophenyl)-1-methylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine

Structural Information

Molecular Formula
C16H15ClN4
SMILES
CN1C2=C(CNC(C3=CC=CN32)C4=CC=C(C=C4)Cl)C=N1
InChI
InChI=1S/C16H15ClN4/c1-20-16-12(10-19-20)9-18-15(14-3-2-8-21(14)16)11-4-6-13(17)7-5-11/h2-8,10,15,18H,9H2,1H3
InChIKey
ZVGYHQIYCZETEK-UHFFFAOYSA-N
Compound name
9-(4-chlorophenyl)-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

298.0985 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10578 166.3
[M+Na]+ 321.08772 180.1
[M+NH4]+ 316.13232 174.1
[M+K]+ 337.06166 176.6
[M-H]- 297.09122 168.8
[M+Na-2H]- 319.07317 172.6
[M]+ 298.09795 169.3
[M]- 298.09905 169.3
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.