CID 125449075

7,7-dimethyl-1-phenyl-1h,4h,5h,6h,7h,8h-pyrazolo[4,3-c]azepine dihydrochloride

Structural Information

Molecular Formula
C15H19N3
SMILES
CC1(CC2=C(CNC1)C=NN2C3=CC=CC=C3)C
InChI
InChI=1S/C15H19N3/c1-15(2)8-14-12(9-16-11-15)10-17-18(14)13-6-4-3-5-7-13/h3-7,10,16H,8-9,11H2,1-2H3
InChIKey
LHPXRRSWMUHYOF-UHFFFAOYSA-N
Compound name
7,7-dimethyl-1-phenyl-4,5,6,8-tetrahydropyrazolo[4,3-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.16518 157.0
[M+Na]+ 264.14712 164.2
[M-H]- 240.15062 160.6
[M+NH4]+ 259.19172 173.5
[M+K]+ 280.12106 161.8
[M+H-H2O]+ 224.15516 147.5
[M+HCOO]- 286.15610 173.0
[M+CH3COO]- 300.17175 167.4
[M+Na-2H]- 262.13257 161.2
[M]+ 241.15735 151.0
[M]- 241.15845 151.0
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.