CID 3061715

79592-87-3

Structural Information

Molecular Formula
C25H36N3O4
SMILES
CC[N+](C)(CC)CCNC(=O)CCN(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C25H35N3O4/c1-6-28(3,7-2)19-17-26-24(29)16-18-27(21-10-14-23(32-5)15-11-21)25(30)20-8-12-22(31-4)13-9-20/h8-15H,6-7,16-19H2,1-5H3/p+1
InChIKey
HQGZMIQYEXMJHC-UHFFFAOYSA-O
Compound name
diethyl-[2-[3-(4-methoxy-N-(4-methoxybenzoyl)anilino)propanoylamino]ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.27057 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.27785 211.1
[M+Na]+ 465.25979 212.2
[M-H]- 441.26329 219.1
[M+NH4]+ 460.30439 220.1
[M+K]+ 481.23373 205.3
[M+H-H2O]+ 425.26783 203.3
[M+HCOO]- 487.26877 233.6
[M+CH3COO]- 501.28442 237.7
[M+Na-2H]- 463.24524 214.2
[M]+ 442.27002 216.0
[M]- 442.27112 216.0
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

No patent data available for this compound.