CID 515388

Schembl11798252

Structural Information

Molecular Formula
C37H56N4O4
SMILES
CCCCN(CCCC)CCCNC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)NCCCN(CCCC)CCCC
InChI
InChI=1S/C37H56N4O4/c1-5-9-21-40(22-10-6-2)25-13-19-38-36(43)29-15-17-33-31(27-29)35(42)32-28-30(16-18-34(32)45-33)37(44)39-20-14-26-41(23-11-7-3)24-12-8-4/h15-18,27-28H,5-14,19-26H2,1-4H3,(H,38,43)(H,39,44)
InChIKey
MSBPFGNACOWKNV-UHFFFAOYSA-N
Compound name
2-N,7-N-bis[3-(dibutylamino)propyl]-9-oxoxanthene-2,7-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

620.4302 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.43748 267.8
[M+Na]+ 643.41942 266.1
[M-H]- 619.42292 272.8
[M+NH4]+ 638.46402 269.9
[M+K]+ 659.39336 263.3
[M+H-H2O]+ 603.42746 254.7
[M+HCOO]- 665.42840 286.2
[M+CH3COO]- 679.44405 286.4
[M+Na-2H]- 641.40487 264.4
[M]+ 620.42965 279.3
[M]- 620.43075 279.3
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.