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 179.7
[M+Na]+ 345.19372 183.4
[M-H]- 321.19722 184.3
[M+NH4]+ 340.23832 192.7
[M+K]+ 361.16766 177.7
[M+H-H2O]+ 305.20176 169.7
[M+HCOO]- 367.20270 197.5
[M+CH3COO]- 381.21835 212.5
[M+Na-2H]- 343.17917 182.9
[M]+ 322.20395 177.4
[M]- 322.20505 177.4
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.