CID 3049933

Benzamide, n-(3,5-dibromo-2-(1-oxopropoxy)phenyl)-2-(1-oxopropoxy)-

Structural Information

Molecular Formula
C19H17Br2NO5
SMILES
CCC(=O)OC1=CC=CC=C1C(=O)NC2=C(C(=CC(=C2)Br)Br)OC(=O)CC
InChI
InChI=1S/C19H17Br2NO5/c1-3-16(23)26-15-8-6-5-7-12(15)19(25)22-14-10-11(20)9-13(21)18(14)27-17(24)4-2/h5-10H,3-4H2,1-2H3,(H,22,25)
InChIKey
UWLSJOVDMAJQRB-UHFFFAOYSA-N
Compound name
[2-[(3,5-dibromo-2-propanoyloxyphenyl)carbamoyl]phenyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.94736 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.95464 184.8
[M+Na]+ 519.93658 192.1
[M-H]- 495.94008 193.0
[M+NH4]+ 514.98118 196.6
[M+K]+ 535.91052 177.3
[M+H-H2O]+ 479.94462 189.5
[M+HCOO]- 541.94556 198.7
[M+CH3COO]- 555.96121 233.0
[M+Na-2H]- 517.92203 185.5
[M]+ 496.94681 221.4
[M]- 496.94791 221.4
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.