CID 298618

Nsc680488

Structural Information

Molecular Formula
C17H16N4
SMILES
CC1=C(C2=C(C=C1)N=CC=C2)N=NC3=CC(=C(C=C3)N)C
InChI
InChI=1S/C17H16N4/c1-11-5-8-16-14(4-3-9-19-16)17(11)21-20-13-6-7-15(18)12(2)10-13/h3-10H,18H2,1-2H3
InChIKey
BJBOPEPWFGOLME-UHFFFAOYSA-N
Compound name
2-methyl-4-[(6-methylquinolin-5-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13748 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14476 164.3
[M+Na]+ 299.12670 173.5
[M-H]- 275.13020 173.4
[M+NH4]+ 294.17130 180.7
[M+K]+ 315.10064 168.6
[M+H-H2O]+ 259.13474 154.5
[M+HCOO]- 321.13568 191.7
[M+CH3COO]- 335.15133 177.0
[M+Na-2H]- 297.11215 172.3
[M]+ 276.13693 165.1
[M]- 276.13803 165.1
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.