CID 3077607

134871-09-3

Structural Information

Molecular Formula
C19H21Br2NO3
SMILES
CN(C)CCCOC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C19H21Br2NO3/c1-22(2)12-3-13-25-18(23)19(24,14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,24H,3,12-13H2,1-2H3
InChIKey
GAPZDKQPWOQWII-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.98883 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.99611 180.8
[M+Na]+ 491.97805 175.0
[M+NH4]+ 487.02265 181.5
[M+K]+ 507.95199 181.2
[M-H]- 467.98155 182.0
[M+Na-2H]- 489.96350 182.0
[M]+ 468.98828 179.3
[M]- 468.98938 179.3
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.