CID 374191

Nsc651667

Structural Information

Molecular Formula
C21H22ClN3O6
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H22ClN3O6/c1-11(26)23-14-7-5-12(6-8-14)20(27)24-25-18(17(22)21(25)28)13-9-15(29-2)19(31-4)16(10-13)30-3/h5-10,17-18H,1-4H3,(H,23,26)(H,24,27)
InChIKey
HIXFLJPXFRBGRX-UHFFFAOYSA-N
Compound name
4-acetamido-N-[3-chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.11972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.12700 202.8
[M+Na]+ 470.10894 208.1
[M-H]- 446.11244 210.9
[M+NH4]+ 465.15354 204.4
[M+K]+ 486.08288 208.6
[M+H-H2O]+ 430.11698 187.1
[M+HCOO]- 492.11792 218.2
[M+CH3COO]- 506.13357 239.0
[M+Na-2H]- 468.09439 199.9
[M]+ 447.11917 218.4
[M]- 447.12027 218.4
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.