CID 59620037

1257547-40-2

Structural Information

Molecular Formula
C25H26N6O2
SMILES
CC1=C(C=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5=CN(N=C5C)C)C)OC(C)C
InChI
InChI=1S/C25H26N6O2/c1-14(2)33-23-10-18(11-26-16(23)4)17-7-8-20-19(9-17)24-21(12-27-20)30(6)25(32)31(24)22-13-29(5)28-15(22)3/h7-14H,1-6H3
InChIKey
YWDAJLXJSLKKPA-UHFFFAOYSA-N
Compound name
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(6-methyl-5-propan-2-yloxypyridin-3-yl)imidazo[4,5-c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

442.21173 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.21901 214.6
[M+Na]+ 465.20095 228.8
[M-H]- 441.20445 221.8
[M+NH4]+ 460.24555 222.1
[M+K]+ 481.17489 220.5
[M+H-H2O]+ 425.20899 203.0
[M+HCOO]- 487.20993 230.8
[M+CH3COO]- 501.22558 223.9
[M+Na-2H]- 463.18640 211.9
[M]+ 442.21118 224.1
[M]- 442.21228 224.1
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