CID 135409201

Nsc666166

Structural Information

Molecular Formula
C19H16N6O2
SMILES
CC1=NC(=O)CNN1C2=NNC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2
InChI
InChI=1S/C19H16N6O2/c1-11-21-16(26)10-20-25(11)18-22-17(27)19(24-23-18)14-8-4-2-6-12(14)13-7-3-5-9-15(13)19/h2-9,20,24H,10H2,1H3,(H,22,23,27)
InChIKey
CWIUBDFVTWSGJU-UHFFFAOYSA-N
Compound name
3-(3-methyl-5-oxo-1,6-dihydro-1,2,4-triazin-2-yl)spiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.13348 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14076 191.3
[M+Na]+ 383.12270 201.0
[M-H]- 359.12620 190.7
[M+NH4]+ 378.16730 199.4
[M+K]+ 399.09664 191.0
[M+H-H2O]+ 343.13074 179.1
[M+HCOO]- 405.13168 197.7
[M+CH3COO]- 419.14733 197.6
[M+Na-2H]- 381.10815 193.7
[M]+ 360.13293 184.4
[M]- 360.13403 184.4
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.