CID 13725624

104583-33-7

Structural Information

Molecular Formula
C16H22N3O2
SMILES
CC1=CC(=O)N(C(=C1[N+]2=CC=CC=C2)O)CCCN(C)C
InChI
InChI=1S/C16H21N3O2/c1-13-12-14(20)19(11-7-8-17(2)3)16(21)15(13)18-9-5-4-6-10-18/h4-6,9-10,12H,7-8,11H2,1-3H3/p+1
InChIKey
XITGBAPJMIIYQP-UHFFFAOYSA-O
Compound name
1-[3-(dimethylamino)propyl]-6-hydroxy-4-methyl-5-pyridin-1-ium-1-ylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

288.1712 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17848 166.6
[M+Na]+ 311.16042 182.7
[M+NH4]+ 306.20502 174.4
[M+K]+ 327.13436 176.5
[M-H]- 287.16392 171.8
[M+Na-2H]- 309.14587 175.3
[M]+ 288.17065 170.7
[M]- 288.17175 170.7
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

patents stripe