CID 8578

131-79-3

Structural Information

Molecular Formula
C17H15N3
SMILES
CC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)N
InChI
InChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3
InChIKey
BWLVSYUUKOQICP-UHFFFAOYSA-N
Compound name
1-[(2-methylphenyl)diazenyl]naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

593
Patents

261.1266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.133876 158.4
[M+Na]+ 284.115818 166.7
[M-H]- 260.119324 168.5
[M+NH4]+ 279.160423 176.5
[M+K]+ 300.089758 162.1
[M+H-H2O]+ 244.123860 149.5
[M+HCOO]- 306.124801 187.2
[M+CH3COO]- 320.140451 171.6
[M+Na-2H]- 282.101266 167.1
[M]+ 261.12605142 158.3
[M]- 261.12714858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe