CID 206144

Brn 3000661

Structural Information

Molecular Formula
C15H21BrN2O4
SMILES
CCN(CC)CCNC(=O)COC1=C(C=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C15H21BrN2O4/c1-3-18(4-2)8-7-17-14(19)10-22-13-6-5-11(16)9-12(13)15(20)21/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKey
LBGJJXPYDLOAFP-UHFFFAOYSA-N
Compound name
5-bromo-2-[2-[2-(diethylamino)ethylamino]-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.06848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07576 177.1
[M+Na]+ 395.05770 176.1
[M+NH4]+ 390.10230 178.5
[M+K]+ 411.03164 177.8
[M-H]- 371.06120 176.1
[M+Na-2H]- 393.04315 176.9
[M]+ 372.06793 175.0
[M]- 372.06903 175.0
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.