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 187.4
[M+Na]+ 491.97805 193.9
[M-H]- 467.98155 195.3
[M+NH4]+ 487.02265 200.0
[M+K]+ 507.95199 178.8
[M+H-H2O]+ 451.98609 192.8
[M+HCOO]- 513.98703 200.3
[M+CH3COO]- 528.00268 229.6
[M+Na-2H]- 489.96350 190.2
[M]+ 468.98828 222.7
[M]- 468.98938 222.7
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.