CID 9864298

81732-49-2

Structural Information

Molecular Formula
C14H17BrN2O5
SMILES
CN(C)C(=O)OC1=CC(=CC(=C1)C(=O)CBr)OC(=O)N(C)C
InChI
InChI=1S/C14H17BrN2O5/c1-16(2)13(19)21-10-5-9(12(18)8-15)6-11(7-10)22-14(20)17(3)4/h5-7H,8H2,1-4H3
InChIKey
UIWCLPRSQHCCHA-UHFFFAOYSA-N
Compound name
[3-(2-bromoacetyl)-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.03207 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.03935 173.3
[M+Na]+ 395.02129 181.5
[M-H]- 371.02479 181.7
[M+NH4]+ 390.06589 189.6
[M+K]+ 410.99523 174.0
[M+H-H2O]+ 355.02933 170.3
[M+HCOO]- 417.03027 195.0
[M+CH3COO]- 431.04592 221.0
[M+Na-2H]- 393.00674 174.3
[M]+ 372.03152 197.3
[M]- 372.03262 197.3
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

patents stripe