CID 496494

Nsc691605

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CC(C)(C)N1C(=O)NN(C1=O)C2C(C3=CC=CC4=C3C2=CC=C4)OC
InChI
InChI=1S/C19H21N3O3/c1-19(2,3)21-17(23)20-22(18(21)24)15-12-9-5-7-11-8-6-10-13(14(11)12)16(15)25-4/h5-10,15-16H,1-4H3,(H,20,23)
InChIKey
HGZOSQJTSVAWIO-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-(2-methoxy-1,2-dihydroacenaphthylen-1-yl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 183.2
[M+Na]+ 362.14752 195.3
[M-H]- 338.15102 188.1
[M+NH4]+ 357.19212 198.9
[M+K]+ 378.12146 189.6
[M+H-H2O]+ 322.15556 175.9
[M+HCOO]- 384.15650 200.6
[M+CH3COO]- 398.17215 194.6
[M+Na-2H]- 360.13297 185.2
[M]+ 339.15775 189.4
[M]- 339.15885 189.4
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.