CID 10378437

Butanixin

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CCCCC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C16H18N2O2/c1-2-3-5-12-7-9-13(10-8-12)18-15-14(16(19)20)6-4-11-17-15/h4,6-11H,2-3,5H2,1H3,(H,17,18)(H,19,20)
InChIKey
ADIBYIWFBDMKNY-UHFFFAOYSA-N
Compound name
2-(4-butylanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

270.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.2
[M+Na]+ 293.12606 169.3
[M-H]- 269.12956 167.0
[M+NH4]+ 288.17066 177.0
[M+K]+ 309.10000 164.8
[M+H-H2O]+ 253.13410 154.5
[M+HCOO]- 315.13504 184.7
[M+CH3COO]- 329.15069 199.5
[M+Na-2H]- 291.11151 167.6
[M]+ 270.13629 163.2
[M]- 270.13739 163.2
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