CID 2761129

396682-90-9

Structural Information

Molecular Formula
C12H11N3O3
SMILES
C1=CC2=C(C(=NC=C2)NC(=O)CCC(=O)O)N=C1
InChI
InChI=1S/C12H11N3O3/c16-9(3-4-10(17)18)15-12-11-8(5-7-14-12)2-1-6-13-11/h1-2,5-7H,3-4H2,(H,17,18)(H,14,15,16)
InChIKey
QXLLOFROZJRIHD-UHFFFAOYSA-N
Compound name
4-(1,7-naphthyridin-8-ylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08733 152.3
[M+Na]+ 268.06927 159.3
[M-H]- 244.07277 152.7
[M+NH4]+ 263.11387 166.6
[M+K]+ 284.04321 156.1
[M+H-H2O]+ 228.07731 144.2
[M+HCOO]- 290.07825 171.7
[M+CH3COO]- 304.09390 192.4
[M+Na-2H]- 266.05472 159.4
[M]+ 245.07950 152.5
[M]- 245.08060 152.5
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.