CID 45598110

2,3-diphenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

Structural Information

Molecular Formula
C19H19N3
SMILES
C1CNCCC12N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)22-19(21-17)11-13-20-14-12-19/h1-10,20H,11-14H2
InChIKey
HBIZCFAKHMPUJF-UHFFFAOYSA-N
Compound name
2,3-diphenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16518 169.9
[M+Na]+ 312.14712 176.1
[M-H]- 288.15062 175.7
[M+NH4]+ 307.19172 183.6
[M+K]+ 328.12106 168.8
[M+H-H2O]+ 272.15516 158.1
[M+HCOO]- 334.15610 186.2
[M+CH3COO]- 348.17175 179.3
[M+Na-2H]- 310.13257 174.0
[M]+ 289.15735 162.9
[M]- 289.15845 162.9
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.