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

930
Patents

334.14297 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.150246 177.9
[M+Na]+ 357.132188 187.7
[M-H]- 333.135694 179.8
[M+NH4]+ 352.176793 185.6
[M+K]+ 373.106128 178.9
[M+H-H2O]+ 317.140230 160.7
[M+HCOO]- 379.141171 188.5
[M+CH3COO]- 393.156821 185.1
[M+Na-2H]- 355.117636 179.6
[M]+ 334.14242142 170.1
[M]- 334.14351858 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

literature stripe

Patent stripe

patents stripe