CID 80723

6364-39-2

Structural Information

Molecular Formula
C17H16N4
SMILES
CC1=CC(=C(C=C1N)N)N=NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H16N4/c1-11-9-17(15(19)10-14(11)18)21-20-16-8-4-6-12-5-2-3-7-13(12)16/h2-10H,18-19H2,1H3
InChIKey
ISAXZYNEXMETQQ-UHFFFAOYSA-N
Compound name
4-methyl-6-(naphthalen-1-yldiazenyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 162.5
[M+Na]+ 299.12670 170.9
[M-H]- 275.13020 172.5
[M+NH4]+ 294.17130 179.7
[M+K]+ 315.10064 166.2
[M+H-H2O]+ 259.13474 153.5
[M+HCOO]- 321.13568 191.6
[M+CH3COO]- 335.15133 175.2
[M+Na-2H]- 297.11215 169.9
[M]+ 276.13693 161.3
[M]- 276.13803 161.3
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

patents stripe