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]+ 328.15434 178.3
[M+Na]+ 350.13628 182.6
[M-H]- 326.13978 184.2
[M+NH4]+ 345.18088 191.4
[M+K]+ 366.11022 179.8
[M+H-H2O]+ 310.14432 169.3
[M+HCOO]- 372.14526 201.3
[M+CH3COO]- 386.16091 209.4
[M+Na-2H]- 348.12173 181.0
[M]+ 327.14651 181.6
[M]- 327.14761 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.