CID 16072596

1h-indole-2-carboxamide, n,n'-1,3-propanediylbis[5,6-dihydroxy-

Structural Information

Molecular Formula
C21H20N4O6
SMILES
C1=C2C=C(NC2=CC(=C1O)O)C(=O)NCCCNC(=O)C3=CC4=CC(=C(C=C4N3)O)O
InChI
InChI=1S/C21H20N4O6/c26-16-6-10-4-14(24-12(10)8-18(16)28)20(30)22-2-1-3-23-21(31)15-5-11-7-17(27)19(29)9-13(11)25-15/h4-9,24-29H,1-3H2,(H,22,30)(H,23,31)
InChIKey
MTWZKVTXMMRZPO-UHFFFAOYSA-N
Compound name
N-[3-[(5,6-dihydroxy-1H-indole-2-carbonyl)amino]propyl]-5,6-dihydroxy-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.13828 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14556 192.7
[M+Na]+ 447.12750 199.4
[M-H]- 423.13100 193.6
[M+NH4]+ 442.17210 201.2
[M+K]+ 463.10144 193.8
[M+H-H2O]+ 407.13554 185.9
[M+HCOO]- 469.13648 208.3
[M+CH3COO]- 483.15213 221.1
[M+Na-2H]- 445.11295 193.5
[M]+ 424.13773 193.7
[M]- 424.13883 193.7
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.