CID 36288

N,n'-succinyl-bis-novocaine dihydrochloride

Structural Information

Molecular Formula
C30H42N4O6
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC
InChI
InChI=1S/C30H42N4O6/c1-5-33(6-2)19-21-39-29(37)23-9-13-25(14-10-23)31-27(35)17-18-28(36)32-26-15-11-24(12-16-26)30(38)40-22-20-34(7-3)8-4/h9-16H,5-8,17-22H2,1-4H3,(H,31,35)(H,32,36)
InChIKey
PCGXWJUTWGXVNG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[[4-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-4-oxobutanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.3104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.31768 240.4
[M+Na]+ 577.29962 237.6
[M-H]- 553.30312 247.1
[M+NH4]+ 572.34422 243.7
[M+K]+ 593.27356 238.0
[M+H-H2O]+ 537.30766 228.1
[M+HCOO]- 599.30860 262.0
[M+CH3COO]- 613.32425 268.5
[M+Na-2H]- 575.28507 235.1
[M]+ 554.30985 248.0
[M]- 554.31095 248.0
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.