CID 3074773

161373-42-8

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC1=CC2=C(C=C1C)N=NC(=C2N)C(=O)O
InChI
InChI=1S/C11H11N3O2/c1-5-3-7-8(4-6(5)2)13-14-10(9(7)12)11(15)16/h3-4H,1-2H3,(H2,12,13)(H,15,16)
InChIKey
QVHURDLSHVYKIZ-UHFFFAOYSA-N
Compound name
4-amino-6,7-dimethylcinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 147.6
[M+Na]+ 240.07435 158.0
[M-H]- 216.07785 148.8
[M+NH4]+ 235.11895 164.0
[M+K]+ 256.04829 154.2
[M+H-H2O]+ 200.08239 140.5
[M+HCOO]- 262.08333 167.2
[M+CH3COO]- 276.09898 190.9
[M+Na-2H]- 238.05980 152.8
[M]+ 217.08458 147.6
[M]- 217.08568 147.6
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.