CID 3061904

2-(7-chloro-4-quinolylamino)-n,n-diethylacetamide

Structural Information

Molecular Formula
C15H18ClN3O
SMILES
CCN(CC)C(=O)CNC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C15H18ClN3O/c1-3-19(4-2)15(20)10-18-13-7-8-17-14-9-11(16)5-6-12(13)14/h5-9H,3-4,10H2,1-2H3,(H,17,18)
InChIKey
ATQZPCAQQCDJFM-UHFFFAOYSA-N
Compound name
2-[(7-chloroquinolin-4-yl)amino]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.121106 167.1
[M+Na]+ 314.103048 174.3
[M-H]- 290.106554 171.1
[M+NH4]+ 309.147653 183.4
[M+K]+ 330.076988 170.0
[M+H-H2O]+ 274.111090 159.5
[M+HCOO]- 336.112031 185.6
[M+CH3COO]- 350.127681 210.0
[M+Na-2H]- 312.088496 172.3
[M]+ 291.11328142 171.2
[M]- 291.11437858 171.2
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.