CID 5388578

Nsc637007

Structural Information

Molecular Formula
C18H13ClN2O3
SMILES
CC(=O)NC1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)Cl)/C(=O)O2
InChI
InChI=1S/C18H13ClN2O3/c1-11(22)20-15-8-4-13(5-9-15)17-21-16(18(23)24-17)10-12-2-6-14(19)7-3-12/h2-10H,1H3,(H,20,22)/b16-10-
InChIKey
ZXQMCHVVIDNZEW-YBEGLDIGSA-N
Compound name
N-[4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.06146 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06874 179.5
[M+Na]+ 363.05068 188.6
[M-H]- 339.05418 189.2
[M+NH4]+ 358.09528 192.5
[M+K]+ 379.02462 183.2
[M+H-H2O]+ 323.05872 171.1
[M+HCOO]- 385.05966 197.5
[M+CH3COO]- 399.07531 209.6
[M+Na-2H]- 361.03613 180.6
[M]+ 340.06091 182.4
[M]- 340.06201 182.4
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.