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]+ 364.176806 187.3
[M+Na]+ 386.158748 196.3
[M-H]- 362.162254 193.8
[M+NH4]+ 381.203353 199.6
[M+K]+ 402.132688 191.6
[M+H-H2O]+ 346.166790 176.8
[M+HCOO]- 408.167731 207.2
[M+CH3COO]- 422.183381 197.5
[M+Na-2H]- 384.144196 190.3
[M]+ 363.16898142 190.6
[M]- 363.17007858 190.6
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.