CID 20247

Rma3ku4kwo

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC(=O)CCCC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H21NO4/c1-23-18(21)9-5-8-15-10-12-17(13-11-15)20-19(22)24-14-16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,20,22)
InChIKey
RNHLZVAKVRCBJV-UHFFFAOYSA-N
Compound name
methyl 4-[4-(phenylmethoxycarbonylamino)phenyl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.154336 178.3
[M+Na]+ 350.136278 182.6
[M-H]- 326.139784 184.2
[M+NH4]+ 345.180883 191.4
[M+K]+ 366.110218 179.8
[M+H-H2O]+ 310.144320 169.3
[M+HCOO]- 372.145261 201.3
[M+CH3COO]- 386.160911 209.4
[M+Na-2H]- 348.121726 181.0
[M]+ 327.14651142 181.6
[M]- 327.14760858 181.6
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.