CID 3859568

868256-38-6

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CN2CCCC3=CC=CC=C32
InChI
InChI=1S/C21H26N2O/c1-2-3-7-17-11-13-19(14-12-17)22-21(24)16-23-15-6-9-18-8-4-5-10-20(18)23/h4-5,8,10-14H,2-3,6-7,9,15-16H2,1H3,(H,22,24)
InChIKey
QWAZMEYXNTXKGV-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 180.9
[M+Na]+ 345.19372 194.1
[M+NH4]+ 340.23832 189.3
[M+K]+ 361.16766 184.7
[M-H]- 321.19722 186.1
[M+Na-2H]- 343.17917 188.3
[M]+ 322.20395 184.2
[M]- 322.20505 184.2
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.