CID 86573811

(2s)-2-amino-n-[3-[(7-chloro-4-quinolyl)amino]propyl]propanamide

Structural Information

Molecular Formula
C15H19ClN4O
SMILES
C[C@@H](C(=O)NCCCNC1=C2C=CC(=CC2=NC=C1)Cl)N
InChI
InChI=1S/C15H19ClN4O/c1-10(17)15(21)20-7-2-6-18-13-5-8-19-14-9-11(16)3-4-12(13)14/h3-5,8-10H,2,6-7,17H2,1H3,(H,18,19)(H,20,21)/t10-/m0/s1
InChIKey
JRZMQHXPLZTNIJ-JTQLQIEISA-N
Compound name
(2S)-2-amino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.12473 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13201 170.7
[M+Na]+ 329.11395 176.7
[M-H]- 305.11745 172.9
[M+NH4]+ 324.15855 185.1
[M+K]+ 345.08789 171.4
[M+H-H2O]+ 289.12199 163.3
[M+HCOO]- 351.12293 188.2
[M+CH3COO]- 365.13858 212.2
[M+Na-2H]- 327.09940 175.0
[M]+ 306.12418 171.4
[M]- 306.12528 171.4
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.