CID 135564570

Azd1080

Structural Information

Molecular Formula
C19H18N4O2
SMILES
C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O
InChI
InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
InChIKey
BLTVBQXJFVRPFK-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

910
Patents

334.14297 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 184.2
[M+Na]+ 357.13219 198.1
[M+NH4]+ 352.17679 187.7
[M+K]+ 373.10613 189.2
[M-H]- 333.13569 181.7
[M+Na-2H]- 355.11764 187.7
[M]+ 334.14242 184.7
[M]- 334.14352 184.7
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