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-yloxy-3-pyridinyl)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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	443.219006	214.6
[M+Na]+	465.200948	228.8
[M-H]-	441.204454	221.8
[M+NH4]+	460.245553	222.1
[M+K]+	481.174888	220.5
[M+H-H2O]+	425.208990	203.0
[M+HCOO]-	487.209931	230.8
[M+CH3COO]-	501.225581	223.9
[M+Na-2H]-	463.186396	211.9
[M]+	442.21118142	224.1
[M]-	442.21227858	224.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe