CID 367757

Nsc637696

Structural Information

Molecular Formula
C16H10Cl2N2O3
SMILES
C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2O3/c17-9-5-6-11(10(18)7-9)20-16(22)13(21)8-15-19-12-3-1-2-4-14(12)23-15/h1-7H,8H2,(H,20,22)
InChIKey
BXWRMQVHOPFRQY-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.00684 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01412 176.0
[M+Na]+ 370.99606 186.9
[M-H]- 346.99956 183.2
[M+NH4]+ 366.04066 190.4
[M+K]+ 386.97000 181.5
[M+H-H2O]+ 331.00410 169.1
[M+HCOO]- 393.00504 189.6
[M+CH3COO]- 407.02069 187.8
[M+Na-2H]- 368.98151 179.6
[M]+ 348.00629 183.6
[M]- 348.00739 183.6
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.