CID 46239428

Sch-1518291

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC1=CC(=CC2=C(C3=C(NN=C3N=C12)C)CN4CCCOCC4)OC
InChI
InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)
InChIKey
IPHACPSYWWYGQN-UHFFFAOYSA-N
Compound name
4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

63
Patents

340.1899 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 183.8
[M+Na]+ 363.179118 192.4
[M-H]- 339.182624 188.1
[M+NH4]+ 358.223723 193.6
[M+K]+ 379.153058 190.6
[M+H-H2O]+ 323.187160 172.9
[M+HCOO]- 385.188101 196.2
[M+CH3COO]- 399.203751 192.7
[M+Na-2H]- 361.164566 185.6
[M]+ 340.18935142 182.5
[M]- 340.19044858 182.5
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

patents stripe