CID 510022

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

Structural Information

Molecular Formula
C27H33N5O3
SMILES
CCC(C)OC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=NC3=N2)N4CCOCC4)C5=CC=CC=C5
InChI
InChI=1S/C27H33N5O3/c1-3-20(2)35-27(33)32-13-11-31(12-14-32)26-23(21-7-5-4-6-8-21)19-22-9-10-24(28-25(22)29-26)30-15-17-34-18-16-30/h4-10,19-20H,3,11-18H2,1-2H3
InChIKey
ZEEWTZDYUBBGHA-UHFFFAOYSA-N
Compound name
butan-2-yl 4-(7-morpholin-4-yl-3-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

475.25833 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.26561 220.5
[M+Na]+ 498.24755 221.8
[M-H]- 474.25105 225.1
[M+NH4]+ 493.29215 218.9
[M+K]+ 514.22149 216.2
[M+H-H2O]+ 458.25559 204.1
[M+HCOO]- 520.25653 224.2
[M+CH3COO]- 534.27218 223.4
[M+Na-2H]- 496.23300 218.3
[M]+ 475.25778 214.7
[M]- 475.25888 214.7
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.