CID 9555479

Nsc332415

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CCCCC1=CC2=C(C=C(N=C2C=C1)C)N/N=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C22H23N3O2/c1-3-4-5-16-6-8-19-18(11-16)20(10-15(2)24-19)25-23-13-17-7-9-21-22(12-17)27-14-26-21/h6-13H,3-5,14H2,1-2H3,(H,24,25)/b23-13+
InChIKey
AJSOFEXYDZOEQI-YDZHTSKRSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-butyl-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.17902 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 189.0
[M+Na]+ 384.16824 196.6
[M-H]- 360.17174 198.5
[M+NH4]+ 379.21284 201.6
[M+K]+ 400.14218 192.9
[M+H-H2O]+ 344.17628 179.3
[M+HCOO]- 406.17722 210.2
[M+CH3COO]- 420.19287 199.6
[M+Na-2H]- 382.15369 194.3
[M]+ 361.17847 193.3
[M]- 361.17957 193.3
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.