CID 76899969

Sf0166

Structural Information

Molecular Formula
C23H27F2N5O4
SMILES
C1CC2=C(NC1)N=C(C=C2)CCCN3CCN(C3=O)[C@@H](CC(=O)O)C4=CN=C(C=C4)OC(F)F
InChI
InChI=1S/C23H27F2N5O4/c24-22(25)34-19-8-6-16(14-27-19)18(13-20(31)32)30-12-11-29(23(30)33)10-2-4-17-7-5-15-3-1-9-26-21(15)28-17/h5-8,14,18,22H,1-4,9-13H2,(H,26,28)(H,31,32)/t18-/m0/s1
InChIKey
IGUVQCZYMKVWFL-SFHVURJKSA-N
Compound name
(3S)-3-[6-(difluoromethoxy)pyridin-3-yl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

475.20312 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.21040 211.3
[M+Na]+ 498.19234 218.2
[M+NH4]+ 493.23694 212.3
[M+K]+ 514.16628 216.4
[M-H]- 474.19584 208.3
[M+Na-2H]- 496.17779 211.7
[M]+ 475.20257 210.6
[M]- 475.20367 210.6
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

patents stripe