CID 3041830

Brn 1512576

Structural Information

Molecular Formula
C19H21ClN2O5
SMILES
CC(C)(C(=O)OCC1=NC(=CC=C1)COC(=O)NC)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H21ClN2O5/c1-19(2,27-16-9-7-13(20)8-10-16)17(23)25-11-14-5-4-6-15(22-14)12-26-18(24)21-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKey
NQOQDAGXOLQDGW-UHFFFAOYSA-N
Compound name
[6-(methylcarbamoyloxymethyl)pyridin-2-yl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.1139 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12118 189.6
[M+Na]+ 415.10312 195.7
[M-H]- 391.10662 194.8
[M+NH4]+ 410.14772 200.0
[M+K]+ 431.07706 192.4
[M+H-H2O]+ 375.11116 181.0
[M+HCOO]- 437.11210 205.4
[M+CH3COO]- 451.12775 219.3
[M+Na-2H]- 413.08857 192.7
[M]+ 392.11335 197.1
[M]- 392.11445 197.1
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