CID 71316830

3-[2-[4-[(e)-c-[4-fluoro-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]phenyl]-n-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C35H40F2N6O3
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)/C(=N\O)/C4=C(C=C(C=C4)F)N5CCC(CC5)C6=NOC7=C6C=CC(=C7)F
InChI
InChI=1S/C35H40F2N6O3/c1-22-27(35(44)43-14-3-2-4-32(43)38-22)13-17-41-15-9-23(10-16-41)33(39-45)28-7-5-25(36)20-30(28)42-18-11-24(12-19-42)34-29-8-6-26(37)21-31(29)46-40-34/h5-8,20-21,23-24,45H,2-4,9-19H2,1H3/b39-33+
InChIKey
GQIQUGILXGRQGO-YQOUJOJOSA-N
Compound name
3-[2-[4-[(E)-C-[4-fluoro-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]phenyl]-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.313 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.32028 256.6
[M+Na]+ 653.30222 259.3
[M-H]- 629.30572 263.2
[M+NH4]+ 648.34682 251.3
[M+K]+ 669.27616 250.1
[M+H-H2O]+ 613.31026 237.6
[M+HCOO]- 675.31120 257.4
[M+CH3COO]- 689.32685 256.9
[M+Na-2H]- 651.28767 247.6
[M]+ 630.31245 248.7
[M]- 630.31355 248.7
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.