CID 68904215

Schembl4080228

Structural Information

Molecular Formula
C21H24Cl2N2O2
SMILES
CC(C)(C)NC(=O)N1CC(C1)OC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H24Cl2N2O2/c1-21(2,3)24-20(26)25-12-18(13-25)27-19(14-4-8-16(22)9-5-14)15-6-10-17(23)11-7-15/h4-11,18-19H,12-13H2,1-3H3,(H,24,26)
InChIKey
JIJVOTYIBJGZDJ-UHFFFAOYSA-N
Compound name
3-[bis(4-chlorophenyl)methoxy]-N-tert-butylazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

406.1215 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12878 191.1
[M+Na]+ 429.11072 196.5
[M-H]- 405.11422 197.7
[M+NH4]+ 424.15532 195.6
[M+K]+ 445.08466 193.4
[M+H-H2O]+ 389.11876 177.5
[M+HCOO]- 451.11970 198.8
[M+CH3COO]- 465.13535 225.1
[M+Na-2H]- 427.09617 191.0
[M]+ 406.12095 202.9
[M]- 406.12205 202.9
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

patents stripe