CID 22221

Ro 5-6574

Structural Information

Molecular Formula
C21H28N2O4
SMILES
CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OCCNC)OCC
InChI
InChI=1S/C21H28N2O4/c1-4-25-19-11-8-17(14-20(19)26-5-2)21(24)23-15-16-6-9-18(10-7-16)27-13-12-22-3/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,23,24)
InChIKey
IZKSBKIVEJBRSO-UHFFFAOYSA-N
Compound name
3,4-diethoxy-N-[[4-[2-(methylamino)ethoxy]phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21218 190.8
[M+Na]+ 395.19412 194.8
[M-H]- 371.19762 196.8
[M+NH4]+ 390.23872 202.2
[M+K]+ 411.16806 191.9
[M+H-H2O]+ 355.20216 181.0
[M+HCOO]- 417.20310 214.7
[M+CH3COO]- 431.21875 224.2
[M+Na-2H]- 393.17957 192.7
[M]+ 372.20435 196.3
[M]- 372.20545 196.3
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