CID 53862

C 3224

Structural Information

Molecular Formula
C28H37N3O2
SMILES
CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)N(CCN(CC)CC)C3=C(C=CC=C3C)C
InChI
InChI=1S/C28H37N3O2/c1-6-9-19-33-26-20-24(23-15-10-11-16-25(23)29-26)28(32)31(18-17-30(7-2)8-3)27-21(4)13-12-14-22(27)5/h10-16,20H,6-9,17-19H2,1-5H3
InChIKey
QWJAWKLHGTTYPZ-UHFFFAOYSA-N
Compound name
2-butoxy-N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.28857 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.29585 217.6
[M+Na]+ 470.27779 221.0
[M-H]- 446.28129 225.0
[M+NH4]+ 465.32239 226.7
[M+K]+ 486.25173 217.2
[M+H-H2O]+ 430.28583 205.6
[M+HCOO]- 492.28677 237.8
[M+CH3COO]- 506.30242 248.3
[M+Na-2H]- 468.26324 216.6
[M]+ 447.28802 224.4
[M]- 447.28912 224.4
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.