CID 22293621

3-(4-bromophenyl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula
C12H12BrN3
SMILES
C1CNCC2=C1NN=C2C3=CC=C(C=C3)Br
InChI
InChI=1S/C12H12BrN3/c13-9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12/h1-4,14H,5-7H2,(H,15,16)
InChIKey
YVWBWCMTUJBDNF-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

277.02145 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.028726 156.1
[M+Na]+ 300.010668 166.9
[M-H]- 276.014174 159.7
[M+NH4]+ 295.055273 173.4
[M+K]+ 315.984608 153.5
[M+H-H2O]+ 260.018710 154.8
[M+HCOO]- 322.019651 170.2
[M+CH3COO]- 336.035301 168.4
[M+Na-2H]- 297.996116 162.0
[M]+ 277.02090142 169.1
[M]- 277.02199858 169.1
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

patents stripe