CID 3087357

Butanediamide, n,n'-bis(9,10-dihydro-9-oxo-1-acridinyl)-

Structural Information

Molecular Formula
C30H22N4O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC=C3NC(=O)CCC(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6N5
InChI
InChI=1S/C30H22N4O4/c35-25(33-23-13-5-11-21-27(23)29(37)17-7-1-3-9-19(17)31-21)15-16-26(36)34-24-14-6-12-22-28(24)30(38)18-8-2-4-10-20(18)32-22/h1-14H,15-16H2,(H,31,37)(H,32,38)(H,33,35)(H,34,36)
InChIKey
LPBYFGBOHKGTRP-UHFFFAOYSA-N
Compound name
N,N'-bis(9-oxo-10H-acridin-1-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.1641 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.171376 215.0
[M+Na]+ 525.153318 222.6
[M-H]- 501.156824 220.2
[M+NH4]+ 520.197923 219.8
[M+K]+ 541.127258 214.2
[M+H-H2O]+ 485.161360 202.2
[M+HCOO]- 547.162301 229.7
[M+CH3COO]- 561.177951 221.1
[M+Na-2H]- 523.138766 223.5
[M]+ 502.16355142 216.3
[M]- 502.16464858 216.3
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.