CID 85918

15846-31-8

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC1=C(C(CC(=O)N1)(C)N)C(=O)N
InChI
InChI=1S/C8H13N3O2/c1-4-6(7(9)13)8(2,10)3-5(12)11-4/h3,10H2,1-2H3,(H2,9,13)(H,11,12)
InChIKey
LHDXJPNRNDAPTK-UHFFFAOYSA-N
Compound name
4-amino-4,6-dimethyl-2-oxo-1,3-dihydropyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 139.1
[M+Na]+ 206.089988 146.9
[M-H]- 182.093494 139.7
[M+NH4]+ 201.134593 158.3
[M+K]+ 222.063928 144.5
[M+H-H2O]+ 166.098030 134.0
[M+HCOO]- 228.098971 158.9
[M+CH3COO]- 242.114621 184.4
[M+Na-2H]- 204.075436 141.9
[M]+ 183.10022142 133.3
[M]- 183.10131858 133.3
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.