CID 5284402

Indolidan

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C
InChI
InChI=1S/C14H15N3O2/c1-14(2)9-7-8(3-4-11(9)15-13(14)19)10-5-6-12(18)17-16-10/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKey
LZCQFJKUAIWHRW-UHFFFAOYSA-N
Compound name
3,3-dimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

1120
Patents

257.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 160.3
[M+Na]+ 280.10564 172.4
[M+NH4]+ 275.15024 168.3
[M+K]+ 296.07958 166.4
[M-H]- 256.10914 161.2
[M+Na-2H]- 278.09109 165.7
[M]+ 257.11587 162.1
[M]- 257.11697 162.1
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