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]+ 215.12912 149.6
[M+Na]+ 237.11106 158.0
[M-H]- 213.11456 150.3
[M+NH4]+ 232.15566 164.8
[M+K]+ 253.08500 152.6
[M+H-H2O]+ 197.11910 139.8
[M+HCOO]- 259.12004 165.5
[M+CH3COO]- 273.13569 160.4
[M+Na-2H]- 235.09651 154.7
[M]+ 214.12129 145.7
[M]- 214.12239 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.