CID 515396

Bis[3-(dibutylamino)propyl] 9h-xanthene-2,7-dicarboxylate

Structural Information

Molecular Formula
C37H56N2O5
SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)C(=O)OCCCN(CCCC)CCCC
InChI
InChI=1S/C37H56N2O5/c1-5-9-19-38(20-10-6-2)23-13-25-42-36(40)30-15-17-34-32(27-30)29-33-28-31(16-18-35(33)44-34)37(41)43-26-14-24-39(21-11-7-3)22-12-8-4/h15-18,27-28H,5-14,19-26,29H2,1-4H3
InChIKey
APEDGHGDUOEYHL-UHFFFAOYSA-N
Compound name
bis[3-(dibutylamino)propyl] 9H-xanthene-2,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

608.41895 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.42623 265.0
[M+Na]+ 631.40817 261.9
[M-H]- 607.41167 268.9
[M+NH4]+ 626.45277 267.7
[M+K]+ 647.38211 259.8
[M+H-H2O]+ 591.41621 252.4
[M+HCOO]- 653.41715 278.7
[M+CH3COO]- 667.43280 277.9
[M+Na-2H]- 629.39362 259.4
[M]+ 608.41840 276.8
[M]- 608.41950 276.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.