CID 36286

32956-81-3

Structural Information

Molecular Formula
C28H40N6O4
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC
InChI
InChI=1S/C28H40N6O4/c1-5-33(6-2)19-17-29-25(35)21-9-13-23(14-10-21)31-27(37)28(38)32-24-15-11-22(12-16-24)26(36)30-18-20-34(7-3)8-4/h9-16H,5-8,17-20H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)
InChIKey
CZCFWSZYINGHSU-UHFFFAOYSA-N
Compound name
N,N'-bis[4-[2-(diethylamino)ethylcarbamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.3111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.31838 233.2
[M+Na]+ 547.30032 230.1
[M-H]- 523.30382 240.3
[M+NH4]+ 542.34492 237.5
[M+K]+ 563.27426 230.2
[M+H-H2O]+ 507.30836 220.9
[M+HCOO]- 569.30930 257.1
[M+CH3COO]- 583.32495 268.6
[M+Na-2H]- 545.28577 229.7
[M]+ 524.31055 235.8
[M]- 524.31165 235.8
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.