CID 379135

Nsc663414

Structural Information

Molecular Formula
C23H36N2O3
SMILES
CCCCCC1=C(C(=O)NC2=C1C=CC(=C2)CNCC(OC)OC)CCCC
InChI
InChI=1S/C23H36N2O3/c1-5-7-9-11-18-19-13-12-17(15-24-16-22(27-3)28-4)14-21(19)25-23(26)20(18)10-8-6-2/h12-14,22,24H,5-11,15-16H2,1-4H3,(H,25,26)
InChIKey
CTHRWGYCIBTPQM-UHFFFAOYSA-N
Compound name
3-butyl-7-[(2,2-dimethoxyethylamino)methyl]-4-pentyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.27258 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27986 199.6
[M+Na]+ 411.26180 204.2
[M-H]- 387.26530 200.2
[M+NH4]+ 406.30640 210.3
[M+K]+ 427.23574 199.0
[M+H-H2O]+ 371.26984 190.4
[M+HCOO]- 433.27078 217.0
[M+CH3COO]- 447.28643 226.8
[M+Na-2H]- 409.24725 199.5
[M]+ 388.27203 205.5
[M]- 388.27313 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.