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
3
Annotation Hits

27
References

1285
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 160.2
[M+Na]+ 280.10564 169.5
[M-H]- 256.10914 161.6
[M+NH4]+ 275.15024 176.7
[M+K]+ 296.07958 163.5
[M+H-H2O]+ 240.11368 152.3
[M+HCOO]- 302.11462 174.7
[M+CH3COO]- 316.13027 170.8
[M+Na-2H]- 278.09109 162.8
[M]+ 257.11587 155.9
[M]- 257.11697 155.9
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.