CID 36253

N,n'-oxalyl-bis-novocaine dihydrochloride

Structural Information

Molecular Formula
C28H38N4O6
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC
InChI
InChI=1S/C28H38N4O6/c1-5-31(6-2)17-19-37-27(35)21-9-13-23(14-10-21)29-25(33)26(34)30-24-15-11-22(12-16-24)28(36)38-20-18-32(7-3)8-4/h9-16H,5-8,17-20H2,1-4H3,(H,29,33)(H,30,34)
InChIKey
YFNRKOZMMNPEKU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[[2-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-2-oxoacetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2791 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.28638 232.1
[M+Na]+ 549.26832 230.3
[M-H]- 525.27182 239.3
[M+NH4]+ 544.31292 236.7
[M+K]+ 565.24226 231.1
[M+H-H2O]+ 509.27636 220.2
[M+HCOO]- 571.27730 254.5
[M+CH3COO]- 585.29295 262.2
[M+Na-2H]- 547.25377 227.8
[M]+ 526.27855 239.0
[M]- 526.27965 239.0
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.