CID 45054355

4-(4,6-diphenyl-1,3-diazabicyclo(3.1.0)hex-3-en-2-yl)-n,n-dimethylaniline

Structural Information

Molecular Formula
C24H23N3
SMILES
CN(C)C1=CC=C(C=C1)C2N=C(C3N2C3C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H23N3/c1-26(2)20-15-13-19(14-16-20)24-25-21(17-9-5-3-6-10-17)23-22(27(23)24)18-11-7-4-8-12-18/h3-16,22-24H,1-2H3
InChIKey
RSXWXEAYFFVBFX-UHFFFAOYSA-N
Compound name
4-(4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1892 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19648 186.3
[M+Na]+ 376.17842 195.6
[M-H]- 352.18192 198.6
[M+NH4]+ 371.22302 194.6
[M+K]+ 392.15236 188.5
[M+H-H2O]+ 336.18646 175.7
[M+HCOO]- 398.18740 208.4
[M+CH3COO]- 412.20305 196.6
[M+Na-2H]- 374.16387 188.4
[M]+ 353.18865 189.2
[M]- 353.18975 189.2
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.