CID 86775618

1786096-77-2

Structural Information

Molecular Formula
C26H27N3O2
SMILES
C1C(N(C1C(=O)NCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C26H27N3O2/c30-25(27-17-20-10-4-1-5-11-20)23-16-24(29(23)19-22-14-8-3-9-15-22)26(31)28-18-21-12-6-2-7-13-21/h1-15,23-24H,16-19H2,(H,27,30)(H,28,31)
InChIKey
ZDKQZLBPKVUZJV-UHFFFAOYSA-N
Compound name
2-N,4-N,1-tribenzylazetidine-2,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.21033 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 204.8
[M+Na]+ 436.19955 213.1
[M+NH4]+ 431.24415 207.3
[M+K]+ 452.17349 206.2
[M-H]- 412.20305 209.7
[M+Na-2H]- 434.18500 212.1
[M]+ 413.20978 206.1
[M]- 413.21088 206.1
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.