CID 46866705

Pf-04979064

Structural Information

Molecular Formula
C24H26N6O3
SMILES
CC1=NC=C(C=C1)C2=NC3=C4C(=CN=C3C=C2)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C
InChI
InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
InChIKey
GACQNUHFDBEIQH-HNNXBMFYSA-N
Compound name
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

79
Patents

446.20663 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21391 212.8
[M+Na]+ 469.19585 221.5
[M-H]- 445.19935 216.1
[M+NH4]+ 464.24045 216.3
[M+K]+ 485.16979 213.5
[M+H-H2O]+ 429.20389 200.0
[M+HCOO]- 491.20483 220.9
[M+CH3COO]- 505.22048 218.8
[M+Na-2H]- 467.18130 210.8
[M]+ 446.20608 213.2
[M]- 446.20718 213.2
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.