CID 8578

Yellow ob

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
5
Annotation Hits

7
References

406
Patents

261.1266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 158.4
[M+Na]+ 284.11582 166.7
[M-H]- 260.11932 168.5
[M+NH4]+ 279.16042 176.5
[M+K]+ 300.08976 162.1
[M+H-H2O]+ 244.12386 149.5
[M+HCOO]- 306.12480 187.2
[M+CH3COO]- 320.14045 171.6
[M+Na-2H]- 282.10127 167.1
[M]+ 261.12605 158.3
[M]- 261.12715 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