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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.