CID 3025090

102149-29-1

Structural Information

Molecular Formula
C16H20ClN3O
SMILES
CCCCNC(=O)C(C)NC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C16H20ClN3O/c1-3-4-8-19-16(21)11(2)20-14-7-9-18-15-10-12(17)5-6-13(14)15/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
ZBFLWUVCILIZGY-UHFFFAOYSA-N
Compound name
N-butyl-2-[(7-chloroquinolin-4-yl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1295 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13678 171.5
[M+Na]+ 328.11872 178.0
[M-H]- 304.12222 174.1
[M+NH4]+ 323.16332 186.6
[M+K]+ 344.09266 172.6
[M+H-H2O]+ 288.12676 164.1
[M+HCOO]- 350.12770 188.2
[M+CH3COO]- 364.14335 210.5
[M+Na-2H]- 326.10417 175.8
[M]+ 305.12895 174.2
[M]- 305.13005 174.2
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.