CID 510023

Sec-butyl 4-(7-chloro-3-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C23H25ClN4O2
SMILES
CCC(C)OC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=NC3=N2)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H25ClN4O2/c1-3-16(2)30-23(29)28-13-11-27(12-14-28)22-19(17-7-5-4-6-8-17)15-18-9-10-20(24)25-21(18)26-22/h4-10,15-16H,3,11-14H2,1-2H3
InChIKey
LIVLIRMRFXPURZ-UHFFFAOYSA-N
Compound name
butan-2-yl 4-(7-chloro-3-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.1666 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17388 203.1
[M+Na]+ 447.15582 208.9
[M-H]- 423.15932 206.8
[M+NH4]+ 442.20042 208.5
[M+K]+ 463.12976 201.6
[M+H-H2O]+ 407.16386 189.8
[M+HCOO]- 469.16480 209.2
[M+CH3COO]- 483.18045 209.4
[M+Na-2H]- 445.14127 203.3
[M]+ 424.16605 203.2
[M]- 424.16715 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.