CID 373153

Nsc649094

Structural Information

Molecular Formula
C15H13N3
SMILES
CN(C1=CC=CC=C1)C2=CC3=CC=CC=C3N=N2
InChI
InChI=1S/C15H13N3/c1-18(13-8-3-2-4-9-13)15-11-12-7-5-6-10-14(12)16-17-15/h2-11H,1H3
InChIKey
UZJUJYQZXBXUBO-UHFFFAOYSA-N
Compound name
N-methyl-N-phenylcinnolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.11095 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11823 152.0
[M+Na]+ 258.10017 159.8
[M-H]- 234.10367 158.0
[M+NH4]+ 253.14477 167.9
[M+K]+ 274.07411 155.6
[M+H-H2O]+ 218.10821 142.1
[M+HCOO]- 280.10915 174.6
[M+CH3COO]- 294.12480 164.3
[M+Na-2H]- 256.08562 162.0
[M]+ 235.11040 152.0
[M]- 235.11150 152.0
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.