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 187.3
[M+Na]+ 386.15875 196.3
[M-H]- 362.16225 193.8
[M+NH4]+ 381.20335 199.6
[M+K]+ 402.13269 191.6
[M+H-H2O]+ 346.16679 176.8
[M+HCOO]- 408.16773 207.2
[M+CH3COO]- 422.18338 197.5
[M+Na-2H]- 384.14420 190.3
[M]+ 363.16898 190.6
[M]- 363.17008 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.