CID 2179798

64875-82-7

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCOC(=O)CNCCC(=O)C1=CC=C(C=C1)OCC(C)C
InChI
InChI=1S/C17H25NO4/c1-4-21-17(20)11-18-10-9-16(19)14-5-7-15(8-6-14)22-12-13(2)3/h5-8,13,18H,4,9-12H2,1-3H3
InChIKey
VMTPXABBHJEEPR-UHFFFAOYSA-N
Compound name
ethyl 2-[[3-[4-(2-methylpropoxy)phenyl]-3-oxopropyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 175.4
[M+Na]+ 330.16756 179.0
[M-H]- 306.17106 178.0
[M+NH4]+ 325.21216 189.7
[M+K]+ 346.14150 177.6
[M+H-H2O]+ 290.17560 167.6
[M+HCOO]- 352.17654 196.6
[M+CH3COO]- 366.19219 209.8
[M+Na-2H]- 328.15301 175.3
[M]+ 307.17779 180.2
[M]- 307.17889 180.2
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.