CID 125449075

2060036-05-5

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[4,5-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]+ 242.165176 157.0
[M+Na]+ 264.147118 164.2
[M-H]- 240.150624 160.6
[M+NH4]+ 259.191723 173.5
[M+K]+ 280.121058 161.8
[M+H-H2O]+ 224.155160 147.5
[M+HCOO]- 286.156101 173.0
[M+CH3COO]- 300.171751 167.4
[M+Na-2H]- 262.132566 161.2
[M]+ 241.15735142 151.0
[M]- 241.15844858 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.