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]+ 290.165176 169.9
[M+Na]+ 312.147118 176.1
[M-H]- 288.150624 175.7
[M+NH4]+ 307.191723 183.6
[M+K]+ 328.121058 168.8
[M+H-H2O]+ 272.155160 158.1
[M+HCOO]- 334.156101 186.2
[M+CH3COO]- 348.171751 179.3
[M+Na-2H]- 310.132566 174.0
[M]+ 289.15735142 162.9
[M]- 289.15844858 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.