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]+ 217.108376 148.7
[M+Na]+ 239.090318 158.9
[M-H]- 215.093824 150.8
[M+NH4]+ 234.134923 165.4
[M+K]+ 255.064258 155.0
[M+H-H2O]+ 199.098360 141.2
[M+HCOO]- 261.099301 170.1
[M+CH3COO]- 275.114951 195.8
[M+Na-2H]- 237.075766 153.8
[M]+ 216.10055142 147.5
[M]- 216.10164858 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

literature stripe

Patent stripe

No patent data available for this compound.