CID 510024

Isopropyl 4-(7-methoxy-3-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C23H26N4O3
SMILES
CC(C)OC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=NC3=N2)OC)C4=CC=CC=C4
InChI
InChI=1S/C23H26N4O3/c1-16(2)30-23(28)27-13-11-26(12-14-27)22-19(17-7-5-4-6-8-17)15-18-9-10-20(29-3)24-21(18)25-22/h4-10,15-16H,11-14H2,1-3H3
InChIKey
DFCKSPJRUJOCDM-UHFFFAOYSA-N
Compound name
propan-2-yl 4-(7-methoxy-3-phenyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.2005 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 201.6
[M+Na]+ 429.18972 206.5
[M-H]- 405.19322 205.6
[M+NH4]+ 424.23432 206.7
[M+K]+ 445.16366 201.1
[M+H-H2O]+ 389.19776 188.1
[M+HCOO]- 451.19870 212.4
[M+CH3COO]- 465.21435 208.1
[M+Na-2H]- 427.17517 202.3
[M]+ 406.19995 200.7
[M]- 406.20105 200.7
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.