CID 370663

Nsc644039

Structural Information

Molecular Formula
C26H27N5O4S
SMILES
C1CN(CCN1CCO)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N
InChI
InChI=1S/C26H27N5O4S/c27-36(34,35)19-10-8-18(9-11-19)28-24-20-4-1-2-7-23(20)29-25-21(24)5-3-6-22(25)26(33)31-14-12-30(13-15-31)16-17-32/h1-11,32H,12-17H2,(H,28,29)(H2,27,34,35)
InChIKey
BTUADNZMKNSILJ-UHFFFAOYSA-N
Compound name
4-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.17838 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.18566 215.3
[M+Na]+ 528.16760 220.4
[M-H]- 504.17110 219.9
[M+NH4]+ 523.21220 217.8
[M+K]+ 544.14154 213.0
[M+H-H2O]+ 488.17564 204.0
[M+HCOO]- 550.17658 222.8
[M+CH3COO]- 564.19223 220.2
[M+Na-2H]- 526.15305 220.5
[M]+ 505.17783 214.4
[M]- 505.17893 214.4
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.