CID 374173

Nsc651649

Structural Information

Molecular Formula
C17H16ClN3O4
SMILES
COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)O
InChI
InChI=1S/C17H16ClN3O4/c1-25-13-8-10(4-7-12(13)22)15-14(18)17(24)21(15)20-16(23)9-2-5-11(19)6-3-9/h2-8,14-15,22H,19H2,1H3,(H,20,23)
InChIKey
XIBPBOMGNOFFTM-UHFFFAOYSA-N
Compound name
4-amino-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.08295 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09023 182.2
[M+Na]+ 384.07217 188.9
[M-H]- 360.07567 188.8
[M+NH4]+ 379.11677 186.6
[M+K]+ 400.04611 187.3
[M+H-H2O]+ 344.08021 167.6
[M+HCOO]- 406.08115 197.5
[M+CH3COO]- 420.09680 219.7
[M+Na-2H]- 382.05762 181.4
[M]+ 361.08240 192.2
[M]- 361.08350 192.2
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.