CID 3074384

156991-96-7

Structural Information

Molecular Formula
C17H21ClN4O3
SMILES
CCN(CC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NCC(=O)OCC
InChI
InChI=1S/C17H21ClN4O3/c1-4-22(5-2)17(24)13-14(18)11-8-7-9-19-15(11)21-16(13)20-10-12(23)25-6-3/h7-9H,4-6,10H2,1-3H3,(H,19,20,21)
InChIKey
AMDFHFGFFYESKH-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-chloro-3-(diethylcarbamoyl)-1,8-naphthyridin-2-yl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.13022 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13750 184.4
[M+Na]+ 387.11944 191.4
[M-H]- 363.12294 187.3
[M+NH4]+ 382.16404 196.4
[M+K]+ 403.09338 187.9
[M+H-H2O]+ 347.12748 175.7
[M+HCOO]- 409.12842 200.6
[M+CH3COO]- 423.14407 223.5
[M+Na-2H]- 385.10489 187.2
[M]+ 364.12967 191.6
[M]- 364.13077 191.6
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.