CID 9573796

Nsc332412

Structural Information

Molecular Formula
C26H27N3O
SMILES
CCCCC1=CC2=C(C=C(N=C2C=C1)C)N/N=C/C3=CC=C(C4=CC=CC=C34)OC
InChI
InChI=1S/C26H27N3O/c1-4-5-8-19-11-13-24-23(16-19)25(15-18(2)28-24)29-27-17-20-12-14-26(30-3)22-10-7-6-9-21(20)22/h6-7,9-17H,4-5,8H2,1-3H3,(H,28,29)/b27-17+
InChIKey
OSUMYXSZNVQXJY-WPWMEQJKSA-N
Compound name
6-butyl-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.21542 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.22270 200.4
[M+Na]+ 420.20464 208.7
[M-H]- 396.20814 208.6
[M+NH4]+ 415.24924 212.4
[M+K]+ 436.17858 201.3
[M+H-H2O]+ 380.21268 188.7
[M+HCOO]- 442.21362 223.6
[M+CH3COO]- 456.22927 210.1
[M+Na-2H]- 418.19009 206.7
[M]+ 397.21487 205.5
[M]- 397.21597 205.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.