CID 494884

Nsc634353

Structural Information

Molecular Formula
C20H14N4O
SMILES
CC1=NN(C(=O)C12C(C2(C#N)C#N)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H14N4O/c1-14-20(18(25)24(23-14)16-10-6-3-7-11-16)17(19(20,12-21)13-22)15-8-4-2-5-9-15/h2-11,17H,1H3
InChIKey
FHDQRKRZCSVIJW-UHFFFAOYSA-N
Compound name
4-methyl-7-oxo-1,6-diphenyl-5,6-diazaspiro[2.4]hept-4-ene-2,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.11676 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12404 180.6
[M+Na]+ 349.10598 200.7
[M-H]- 325.10948 188.8
[M+NH4]+ 344.15058 191.1
[M+K]+ 365.07992 186.2
[M+H-H2O]+ 309.11402 167.8
[M+HCOO]- 371.11496 193.6
[M+CH3COO]- 385.13061 189.1
[M+Na-2H]- 347.09143 183.3
[M]+ 326.11621 177.1
[M]- 326.11731 177.1
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

No patent data available for this compound.