CID 370676

Nsc644052

Structural Information

Molecular Formula
C27H28ClN7O4S
SMILES
C1CN(CCN1CCO)C(=O)C2=CC=C(C3=C(C4=CC=CC=C4N=C23)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N)Cl
InChI
InChI=1S/C27H28ClN7O4S/c28-21-10-9-20(26(37)35-13-11-34(12-14-35)15-16-36)25-23(21)24(19-3-1-2-4-22(19)32-25)31-17-5-7-18(8-6-17)40(38,39)33-27(29)30/h1-10,36H,11-16H2,(H,31,32)(H4,29,30,33)
InChIKey
FSLWJEIQOOQUGP-UHFFFAOYSA-N
Compound name
2-[4-[[1-chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.1612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.16848 226.4
[M+Na]+ 604.15042 231.0
[M-H]- 580.15392 231.9
[M+NH4]+ 599.19502 226.8
[M+K]+ 620.12436 224.2
[M+H-H2O]+ 564.15846 216.0
[M+HCOO]- 626.15940 231.4
[M+CH3COO]- 640.17505 230.4
[M+Na-2H]- 602.13587 231.6
[M]+ 581.16065 227.5
[M]- 581.16175 227.5
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.