CID 3033821

Panadiplon

Structural Information

Molecular Formula
C18H17N5O2
SMILES
CC(C)N1C2=CC=CC=C2N3C=NC(=C3C1=O)C4=NOC(=N4)C5CC5
InChI
InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3
InChIKey
ZGEGOFCLSWVVKG-UHFFFAOYSA-N
Compound name
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

391
Patents

335.1382 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14548 190.7
[M+Na]+ 358.12742 205.9
[M-H]- 334.13092 198.6
[M+NH4]+ 353.17202 197.6
[M+K]+ 374.10136 198.4
[M+H-H2O]+ 318.13546 181.2
[M+HCOO]- 380.13640 209.1
[M+CH3COO]- 394.15205 201.4
[M+Na-2H]- 356.11287 191.7
[M]+ 335.13765 199.6
[M]- 335.13875 199.6
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