CID 3074295

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

Structural Information

Molecular Formula
C16H15ClN4
SMILES
CN1C2=C(CNC(C3=CC=CN32)C4=CC=CC=C4Cl)C=N1
InChI
InChI=1S/C16H15ClN4/c1-20-16-11(10-19-20)9-18-15(14-7-4-8-21(14)16)12-5-2-3-6-13(12)17/h2-8,10,15,18H,9H2,1H3
InChIKey
AEZLLQCTDWJNDA-UHFFFAOYSA-N
Compound name
9-(2-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 168.9
[M+Na]+ 321.08772 181.3
[M-H]- 297.09122 173.4
[M+NH4]+ 316.13232 184.4
[M+K]+ 337.06166 176.4
[M+H-H2O]+ 281.09576 158.6
[M+HCOO]- 343.09670 182.2
[M+CH3COO]- 357.11235 180.0
[M+Na-2H]- 319.07317 171.2
[M]+ 298.09795 168.6
[M]- 298.09905 168.6
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.