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 202.3
[M+Na]+ 436.19955 202.7
[M-H]- 412.20305 211.2
[M+NH4]+ 431.24415 202.8
[M+K]+ 452.17349 200.4
[M+H-H2O]+ 396.20759 183.8
[M+HCOO]- 458.20853 220.9
[M+CH3COO]- 472.22418 231.7
[M+Na-2H]- 434.18500 202.9
[M]+ 413.20978 207.8
[M]- 413.21088 207.8
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.