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]+ 323.211776 179.7
[M+Na]+ 345.193718 183.4
[M-H]- 321.197224 184.3
[M+NH4]+ 340.238323 192.7
[M+K]+ 361.167658 177.7
[M+H-H2O]+ 305.201760 169.7
[M+HCOO]- 367.202701 197.5
[M+CH3COO]- 381.218351 212.5
[M+Na-2H]- 343.179166 182.9
[M]+ 322.20395142 177.4
[M]- 322.20504858 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.