CID 370678

Nsc644054

Structural Information

Molecular Formula
C30H29ClN6O5S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO)Cl
InChI
InChI=1S/C30H29ClN6O5S/c1-19-18-26(34-42-19)35-43(40,41)21-8-6-20(7-9-21)32-28-22-4-2-3-5-25(22)33-29-23(10-11-24(31)27(28)29)30(39)37-14-12-36(13-15-37)16-17-38/h2-11,18,38H,12-17H2,1H3,(H,32,33)(H,34,35)
InChIKey
OVHIUNRMDHFMQG-UHFFFAOYSA-N
Compound name
4-[[1-chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.1609 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.16818 239.5
[M+Na]+ 643.15012 245.8
[M-H]- 619.15362 248.2
[M+NH4]+ 638.19472 237.8
[M+K]+ 659.12406 239.8
[M+H-H2O]+ 603.15816 228.4
[M+HCOO]- 665.15910 242.1
[M+CH3COO]- 679.17475 243.7
[M+Na-2H]- 641.13557 241.8
[M]+ 620.16035 244.8
[M]- 620.16145 244.8
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.