CID 384535

Nsc674506

Structural Information

Molecular Formula
C33H37N7O5S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCCN(CCO)CCO)C
InChI
InChI=1S/C33H37N7O5S/c1-22-21-23(2)36-33(35-22)39-46(44,45)25-13-11-24(12-14-25)37-30-26-7-3-4-10-29(26)38-31-27(30)8-5-9-28(31)32(43)34-15-6-16-40(17-19-41)18-20-42/h3-5,7-14,21,41-42H,6,15-20H2,1-2H3,(H,34,43)(H,37,38)(H,35,36,39)
InChIKey
NQXBFZFDTRTQHF-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

643.2577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.26498 244.7
[M+Na]+ 666.24692 247.0
[M-H]- 642.25042 249.8
[M+NH4]+ 661.29152 241.1
[M+K]+ 682.22086 241.1
[M+H-H2O]+ 626.25496 232.0
[M+HCOO]- 688.25590 255.4
[M+CH3COO]- 702.27155 275.9
[M+Na-2H]- 664.23237 252.3
[M]+ 643.25715 250.4
[M]- 643.25825 250.4
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.