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]+ 503.17138 215.0
[M+Na]+ 525.15332 222.6
[M-H]- 501.15682 220.2
[M+NH4]+ 520.19792 219.8
[M+K]+ 541.12726 214.2
[M+H-H2O]+ 485.16136 202.2
[M+HCOO]- 547.16230 229.7
[M+CH3COO]- 561.17795 221.1
[M+Na-2H]- 523.13877 223.5
[M]+ 502.16355 216.3
[M]- 502.16465 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.