CID 463681

2-(1h-benzimidazol-2-yl)-n-[3-chloro-2-(2-furyl)-4-oxo-azetidin-1-yl]benzamide

Structural Information

Molecular Formula
C21H15ClN4O3
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)C(=O)NN4C(C(C4=O)Cl)C5=CC=CO5
InChI
InChI=1S/C21H15ClN4O3/c22-17-18(16-10-5-11-29-16)26(21(17)28)25-20(27)13-7-2-1-6-12(13)19-23-14-8-3-4-9-15(14)24-19/h1-11,17-18H,(H,23,24)(H,25,27)
InChIKey
CKXSBBAEYWIPCE-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.08328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09056 187.2
[M+Na]+ 429.07250 195.6
[M-H]- 405.07600 197.2
[M+NH4]+ 424.11710 190.5
[M+K]+ 445.04644 192.6
[M+H-H2O]+ 389.08054 172.4
[M+HCOO]- 451.08148 201.2
[M+CH3COO]- 465.09713 196.7
[M+Na-2H]- 427.05795 186.9
[M]+ 406.08273 199.3
[M]- 406.08383 199.3
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.