CID 495814

Nsc669305

Structural Information

Molecular Formula
C11H12N4O
SMILES
CC1=CC2=C(C=C1C)N=NC(=C2N)C(=O)N
InChI
InChI=1S/C11H12N4O/c1-5-3-7-8(4-6(5)2)14-15-10(9(7)12)11(13)16/h3-4H,1-2H3,(H2,12,14)(H2,13,16)
InChIKey
KXPCUIXOCXAWNH-UHFFFAOYSA-N
Compound name
4-amino-6,7-dimethylcinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 148.7
[M+Na]+ 239.09032 158.9
[M-H]- 215.09382 150.8
[M+NH4]+ 234.13492 165.4
[M+K]+ 255.06426 155.0
[M+H-H2O]+ 199.09836 141.2
[M+HCOO]- 261.09930 170.1
[M+CH3COO]- 275.11495 195.8
[M+Na-2H]- 237.07577 153.8
[M]+ 216.10055 147.5
[M]- 216.10165 147.5
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.