CID 57886040

957194-64-8

Structural Information

Molecular Formula
C9H10IN3O
SMILES
CC1(C(=O)NC2=C(N1)N=CC(=C2)I)C
InChI
InChI=1S/C9H10IN3O/c1-9(2)8(14)12-6-3-5(10)4-11-7(6)13-9/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKey
KTLWPEOJBCZLPP-UHFFFAOYSA-N
Compound name
7-iodo-3,3-dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

302.98685 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99413 143.7
[M+Na]+ 325.97607 146.5
[M-H]- 301.97957 135.2
[M+NH4]+ 321.02067 156.4
[M+K]+ 341.95001 147.9
[M+H-H2O]+ 285.98411 133.5
[M+HCOO]- 347.98505 154.0
[M+CH3COO]- 362.00070 151.1
[M+Na-2H]- 323.96152 139.5
[M]+ 302.98630 137.6
[M]- 302.98740 137.6
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