CID 3013286

681161-09-1

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CC1=NC(=C(C=C1)C(=O)O)NC2=CC=C(C=C2)N3CCOCC3
InChI
InChI=1S/C17H19N3O3/c1-12-2-7-15(17(21)22)16(18-12)19-13-3-5-14(6-4-13)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3,(H,18,19)(H,21,22)
InChIKey
BRVCHYGGLLZJOC-UHFFFAOYSA-N
Compound name
6-methyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

313.14264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 174.3
[M+Na]+ 336.13186 179.1
[M-H]- 312.13536 180.1
[M+NH4]+ 331.17646 182.9
[M+K]+ 352.10580 175.7
[M+H-H2O]+ 296.13990 163.6
[M+HCOO]- 358.14084 190.3
[M+CH3COO]- 372.15649 206.0
[M+Na-2H]- 334.11731 177.6
[M]+ 313.14209 170.6
[M]- 313.14319 170.6
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