CID 438922

Nsc684438

Structural Information

Molecular Formula
C30H44N8O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNC(=O)C(CCCCN)N)NCCNC(=O)C(CCCCN)N
InChI
InChI=1S/C30H44N8O4/c31-13-5-3-9-21(33)29(41)37-17-15-35-23-11-12-24(36-16-18-38-30(42)22(34)10-4-6-14-32)26-25(23)27(39)19-7-1-2-8-20(19)28(26)40/h1-2,7-8,11-12,21-22,35-36H,3-6,9-10,13-18,31-34H2,(H,37,41)(H,38,42)
InChIKey
ZOMIQYFGCVAWSW-UHFFFAOYSA-N
Compound name
2,6-diamino-N-[2-[[4-[2-(2,6-diaminohexanoylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.3486 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.35588 231.1
[M+Na]+ 603.33782 227.9
[M-H]- 579.34132 232.0
[M+NH4]+ 598.38242 232.9
[M+K]+ 619.31176 226.3
[M+H-H2O]+ 563.34586 220.4
[M+HCOO]- 625.34680 249.2
[M+CH3COO]- 639.36245 284.3
[M+Na-2H]- 601.32327 270.4
[M]+ 580.34805 227.4
[M]- 580.34915 227.4
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.