CID 3074294

1,4,5,6-tetrahydro-1-methyl-6-phenylpyrazolo(4,3-f)pyrrolo(1,2-a)(1,4)diazepine

Structural Information

Molecular Formula
C16H16N4
SMILES
CN1C2=C(CNC(C3=CC=CN32)C4=CC=CC=C4)C=N1
InChI
InChI=1S/C16H16N4/c1-19-16-13(11-18-19)10-17-15(12-6-3-2-4-7-12)14-8-5-9-20(14)16/h2-9,11,15,17H,10H2,1H3
InChIKey
VDVINDHQGKCMOQ-UHFFFAOYSA-N
Compound name
3-methyl-9-phenyl-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

264.13748 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14476 161.1
[M+Na]+ 287.12670 173.7
[M+NH4]+ 282.17130 168.6
[M+K]+ 303.10064 170.9
[M-H]- 263.13020 163.4
[M+Na-2H]- 285.11215 167.6
[M]+ 264.13693 163.6
[M]- 264.13803 163.6
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.