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)-2-pyridinyl]-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

898
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 177.9
[M+Na]+ 357.13219 187.7
[M-H]- 333.13569 179.8
[M+NH4]+ 352.17679 185.6
[M+K]+ 373.10613 178.9
[M+H-H2O]+ 317.14023 160.7
[M+HCOO]- 379.14117 188.5
[M+CH3COO]- 393.15682 185.1
[M+Na-2H]- 355.11764 179.6
[M]+ 334.14242 170.1
[M]- 334.14352 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.