CID 9555477

Nsc-332413

Structural Information

Molecular Formula
C25H25N3O2
SMILES
CCCCOC1=CC2=C(C=CN=C2C=C1)N/N=C/C3=CC=C(C4=CC=CC=C34)OC
InChI
InChI=1S/C25H25N3O2/c1-3-4-15-30-19-10-11-23-22(16-19)24(13-14-26-23)28-27-17-18-9-12-25(29-2)21-8-6-5-7-20(18)21/h5-14,16-17H,3-4,15H2,1-2H3,(H,26,28)/b27-17+
InChIKey
RLNBMMMNYCWYPH-WPWMEQJKSA-N
Compound name
6-butoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

399.19467 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20195 197.7
[M+Na]+ 422.18389 205.2
[M-H]- 398.18739 205.6
[M+NH4]+ 417.22849 209.1
[M+K]+ 438.15783 198.7
[M+H-H2O]+ 382.19193 185.7
[M+HCOO]- 444.19287 221.4
[M+CH3COO]- 458.20852 207.3
[M+Na-2H]- 420.16934 205.5
[M]+ 399.19412 203.3
[M]- 399.19522 203.3
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

No patent data available for this compound.