CID 515386

N2,n7-bis[3-(diethylamino)propyl]-9-oxo-xanthene-2,7-dicarboxamide

Structural Information

Molecular Formula
C29H40N4O4
SMILES
CCN(CC)CCCNC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)NCCCN(CC)CC
InChI
InChI=1S/C29H40N4O4/c1-5-32(6-2)17-9-15-30-28(35)21-11-13-25-23(19-21)27(34)24-20-22(12-14-26(24)37-25)29(36)31-16-10-18-33(7-3)8-4/h11-14,19-20H,5-10,15-18H2,1-4H3,(H,30,35)(H,31,36)
InChIKey
BKZQSPFYUDDKFF-UHFFFAOYSA-N
Compound name
2-N,7-N-bis[3-(diethylamino)propyl]-9-oxoxanthene-2,7-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

508.30496 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.31224 232.6
[M+Na]+ 531.29418 234.7
[M-H]- 507.29768 239.5
[M+NH4]+ 526.33878 239.6
[M+K]+ 547.26812 233.4
[M+H-H2O]+ 491.30222 221.1
[M+HCOO]- 553.30316 254.1
[M+CH3COO]- 567.31881 264.0
[M+Na-2H]- 529.27963 233.3
[M]+ 508.30441 241.8
[M]- 508.30551 241.8
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.