CID 170455069

2-[(3-amino-4-methyl-2-pyridinyl)-cyclopropylamino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CC1=C(C(=NC=C1)N(C2CC2)C3=C(C=CC=N3)C(=O)O)N
InChI
InChI=1S/C15H16N4O2/c1-9-6-8-18-14(12(9)16)19(10-4-5-10)13-11(15(20)21)3-2-7-17-13/h2-3,6-8,10H,4-5,16H2,1H3,(H,20,21)
InChIKey
LGJSZHZPMVGKEI-UHFFFAOYSA-N
Compound name
2-[(3-amino-4-methyl-2-pyridinyl)-cyclopropylamino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12732 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.134596 166.0
[M+Na]+ 307.116538 174.7
[M-H]- 283.120044 173.7
[M+NH4]+ 302.161143 173.6
[M+K]+ 323.090478 169.7
[M+H-H2O]+ 267.124580 156.9
[M+HCOO]- 329.125521 188.3
[M+CH3COO]- 343.141171 209.1
[M+Na-2H]- 305.101986 169.5
[M]+ 284.12677142 167.4
[M]- 284.12786858 167.4
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.