CID 3068503

83494-70-6

Structural Information

Molecular Formula
C26H40N4O3
SMILES
CCN(CC)CCNC(=O)C1=COC2=C1C(C3=CC=CC=C3CC2)(NCCN(CC)CC)O
InChI
InChI=1S/C26H40N4O3/c1-5-29(6-2)17-15-27-25(31)21-19-33-23-14-13-20-11-9-10-12-22(20)26(32,24(21)23)28-16-18-30(7-3)8-4/h9-12,19,28,32H,5-8,13-18H2,1-4H3,(H,27,31)
InChIKey
VGEZIAUVYHYWKE-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-[2-(diethylamino)ethylamino]-2-hydroxy-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.31003 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.31731 214.8
[M+Na]+ 479.29925 218.8
[M+NH4]+ 474.34385 220.5
[M+K]+ 495.27319 214.3
[M-H]- 455.30275 218.3
[M+Na-2H]- 477.28470 216.1
[M]+ 456.30948 216.1
[M]- 456.31058 216.1
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.