CID 29941101

158697-67-7

Structural Information

Molecular Formula
C23H27F2N3O2
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C(=O)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C23H27F2N3O2/c1-15-18(23(30)28-10-3-2-4-21(28)26-15)9-13-27-11-7-16(8-12-27)22(29)19-6-5-17(24)14-20(19)25/h5-6,14,16H,2-4,7-13H2,1H3
InChIKey
VVQWCIXBRCHDBW-UHFFFAOYSA-N
Compound name
3-[2-[4-(2,4-difluorobenzoyl)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

23
Patents

415.20712 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.21440 204.3
[M+Na]+ 438.19634 209.8
[M-H]- 414.19984 206.6
[M+NH4]+ 433.24094 210.7
[M+K]+ 454.17028 202.2
[M+H-H2O]+ 398.20438 189.7
[M+HCOO]- 460.20532 212.3
[M+CH3COO]- 474.22097 210.0
[M+Na-2H]- 436.18179 200.7
[M]+ 415.20657 197.6
[M]- 415.20767 197.6
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