CID 23630026

Azd-6280

Structural Information

Molecular Formula
C20H22N4O3
SMILES
CCCNC(=O)C1=NN=C2C(=C1N)C=CC=C2C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
InChIKey
NVWCZRPXYVDQEE-UHFFFAOYSA-N
Compound name
4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

29
Patents

366.1692 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 189.5
[M+Na]+ 389.15842 197.2
[M-H]- 365.16192 194.4
[M+NH4]+ 384.20302 199.5
[M+K]+ 405.13236 192.5
[M+H-H2O]+ 349.16646 178.8
[M+HCOO]- 411.16740 209.9
[M+CH3COO]- 425.18305 224.3
[M+Na-2H]- 387.14387 192.9
[M]+ 366.16865 192.7
[M]- 366.16975 192.7
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