CID 88435

Acetamide, n-[3-[bis[2-(acetyloxy)ethyl]amino]-4-ethoxyphenyl]-

Structural Information

Molecular Formula
C18H26N2O6
SMILES
CCOC1=C(C=C(C=C1)NC(=O)C)N(CCOC(=O)C)CCOC(=O)C
InChI
InChI=1S/C18H26N2O6/c1-5-24-18-7-6-16(19-13(2)21)12-17(18)20(8-10-25-14(3)22)9-11-26-15(4)23/h6-7,12H,5,8-11H2,1-4H3,(H,19,21)
InChIKey
PJCAOXWCMOVGQL-UHFFFAOYSA-N
Compound name
2-[5-acetamido-N-(2-acetyloxyethyl)-2-ethoxyanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

366.17908 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18636 187.0
[M+Na]+ 389.16830 190.3
[M-H]- 365.17180 191.1
[M+NH4]+ 384.21290 199.2
[M+K]+ 405.14224 191.2
[M+H-H2O]+ 349.17634 178.3
[M+HCOO]- 411.17728 209.9
[M+CH3COO]- 425.19293 224.7
[M+Na-2H]- 387.15375 185.7
[M]+ 366.17853 195.0
[M]- 366.17963 195.0
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