CID 45054383

2-(3,4-dimethoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene

Structural Information

Molecular Formula
C24H22N2O2
SMILES
COC1=C(C=C(C=C1)C2N=C(C3N2C3C4=CC=CC=C4)C5=CC=CC=C5)OC
InChI
InChI=1S/C24H22N2O2/c1-27-19-14-13-18(15-20(19)28-2)24-25-21(16-9-5-3-6-10-16)23-22(26(23)24)17-11-7-4-8-12-17/h3-15,22-24H,1-2H3
InChIKey
NKJZBGHLJGKNOS-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.16812 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17540 191.7
[M+Na]+ 393.15734 202.3
[M-H]- 369.16084 203.1
[M+NH4]+ 388.20194 199.2
[M+K]+ 409.13128 195.1
[M+H-H2O]+ 353.16538 181.4
[M+HCOO]- 415.16632 212.5
[M+CH3COO]- 429.18197 201.9
[M+Na-2H]- 391.14279 192.9
[M]+ 370.16757 197.0
[M]- 370.16867 197.0
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.