CID 9555476

Nsc332411

Structural Information

Molecular Formula
C25H25N3O
SMILES
CCCCC1=CC2=C(C=CN=C2C=C1)N/N=C/C3=CC=C(C4=CC=CC=C34)OC
InChI
InChI=1S/C25H25N3O/c1-3-4-7-18-10-12-23-22(16-18)24(14-15-26-23)28-27-17-19-11-13-25(29-2)21-9-6-5-8-20(19)21/h5-6,8-17H,3-4,7H2,1-2H3,(H,26,28)/b27-17+
InChIKey
OVHKMDYNSDTOLJ-WPWMEQJKSA-N
Compound name
6-butyl-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.19977 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20705 194.7
[M+Na]+ 406.18899 202.5
[M-H]- 382.19249 202.7
[M+NH4]+ 401.23359 207.0
[M+K]+ 422.16293 195.3
[M+H-H2O]+ 366.19703 183.0
[M+HCOO]- 428.19797 218.3
[M+CH3COO]- 442.21362 204.6
[M+Na-2H]- 404.17444 202.4
[M]+ 383.19922 199.0
[M]- 383.20032 199.0
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

No patent data available for this compound.