CID 122163792

7-(1-methyl-1h-pyrazol-4-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine

Structural Information

Molecular Formula
C12H14N4
SMILES
CN1C=C(C=N1)C2=NC3=C(CCCN3)C=C2
InChI
InChI=1S/C12H14N4/c1-16-8-10(7-14-16)11-5-4-9-3-2-6-13-12(9)15-11/h4-5,7-8H,2-3,6H2,1H3,(H,13,15)
InChIKey
IKGPXAOIFHWNPV-UHFFFAOYSA-N
Compound name
7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12184 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 149.6
[M+Na]+ 237.111058 158.0
[M-H]- 213.114564 150.3
[M+NH4]+ 232.155663 164.8
[M+K]+ 253.084998 152.6
[M+H-H2O]+ 197.119100 139.8
[M+HCOO]- 259.120041 165.5
[M+CH3COO]- 273.135691 160.4
[M+Na-2H]- 235.096506 154.7
[M]+ 214.12129142 145.7
[M]- 214.12238858 145.7
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.