CID 364134

Nsc629806

Structural Information

Molecular Formula
C17H16N4O
SMILES
CC1=C2C(=C(C=C(C2=NC=C1)N=NC3=CC=CC=C3)OC)N
InChI
InChI=1S/C17H16N4O/c1-11-8-9-19-17-13(10-14(22-2)16(18)15(11)17)21-20-12-6-4-3-5-7-12/h3-10H,18H2,1-2H3
InChIKey
LNNYWPFVXMBPKC-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-8-phenyldiazenylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13242 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13970 167.4
[M+Na]+ 315.12164 176.4
[M-H]- 291.12514 176.4
[M+NH4]+ 310.16624 183.0
[M+K]+ 331.09558 172.2
[M+H-H2O]+ 275.12968 157.3
[M+HCOO]- 337.13062 194.9
[M+CH3COO]- 351.14627 215.9
[M+Na-2H]- 313.10709 175.4
[M]+ 292.13187 169.5
[M]- 292.13297 169.5
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.