CID 208706

Benzamide, p,p'-succinamidobis(n-(2-(diethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C30H44N6O4
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC
InChI
InChI=1S/C30H44N6O4/c1-5-35(6-2)21-19-31-29(39)23-9-13-25(14-10-23)33-27(37)17-18-28(38)34-26-15-11-24(12-16-26)30(40)32-20-22-36(7-3)8-4/h9-16H,5-8,17-22H2,1-4H3,(H,31,39)(H,32,40)(H,33,37)(H,34,38)
InChIKey
DFBSJVPHWDFDGK-UHFFFAOYSA-N
Compound name
N,N'-bis[4-[2-(diethylamino)ethylcarbamoyl]phenyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.3424 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.34968 241.1
[M+Na]+ 575.33162 237.0
[M-H]- 551.33512 247.8
[M+NH4]+ 570.37622 244.1
[M+K]+ 591.30556 236.8
[M+H-H2O]+ 535.33966 228.4
[M+HCOO]- 597.34060 264.3
[M+CH3COO]- 611.35625 274.8
[M+Na-2H]- 573.31707 236.7
[M]+ 552.34185 244.4
[M]- 552.34295 244.5
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.