CID 73442743

Cpi-360

Structural Information

Molecular Formula
C25H31N3O4
SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)[C@H](C)C4CCOCC4)C)OC
InChI
InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
InChIKey
PFPSFENQCNMITC-MRXNPFEDSA-N
Compound name
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

176
Patents

437.23145 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.238726 208.6
[M+Na]+ 460.220668 214.2
[M-H]- 436.224174 216.0
[M+NH4]+ 455.265273 215.6
[M+K]+ 476.194608 209.8
[M+H-H2O]+ 420.228710 198.2
[M+HCOO]- 482.229651 222.9
[M+CH3COO]- 496.245301 232.9
[M+Na-2H]- 458.206116 205.7
[M]+ 437.23090142 209.9
[M]- 437.23199858 209.9
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.