CID 169422749

Mw05

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CN(C)C1=CC=CC(=C1)C(=O)N2C3C(C=C4C=CC(=CC4=N3)OC)C(=N2)N
InChI
InChI=1S/C20H21N5O2/c1-24(2)14-6-4-5-13(9-14)20(26)25-19-16(18(21)23-25)10-12-7-8-15(27-3)11-17(12)22-19/h4-11,16,19H,1-3H3,(H2,21,23)
InChIKey
GSZCKKFQSZDCGQ-UHFFFAOYSA-N
Compound name
(3-amino-7-methoxy-3a,9a-dihydropyrazolo[3,4-b]quinolin-1-yl)-[3-(dimethylamino)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.16953 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 186.1
[M+Na]+ 386.15875 199.9
[M+NH4]+ 381.20335 192.9
[M+K]+ 402.13269 195.2
[M-H]- 362.16225 190.5
[M+Na-2H]- 384.14420 192.4
[M]+ 363.16898 189.2
[M]- 363.17008 189.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.