CID 6861471

1-naphthaldehyde, azine

Structural Information

Molecular Formula
C22H16N2
SMILES
C1=CC=C2C(=CC=CC2=C1)/C=N/N=C/C3=CC=CC4=CC=CC=C34
InChI
InChI=1S/C22H16N2/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-24-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H/b23-15+,24-16+
InChIKey
QBEFRSDYCFCLQT-DFEHQXHXSA-N
Compound name
(E)-1-naphthalen-1-yl-N-[(E)-naphthalen-1-ylmethylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

308.13135 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13863 170.9
[M+Na]+ 331.12057 179.4
[M-H]- 307.12407 181.6
[M+NH4]+ 326.16517 187.9
[M+K]+ 347.09451 172.5
[M+H-H2O]+ 291.12861 160.7
[M+HCOO]- 353.12955 198.6
[M+CH3COO]- 367.14520 183.3
[M+Na-2H]- 329.10602 182.0
[M]+ 308.13080 172.7
[M]- 308.13190 172.7
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