CID 370665

Nsc644041

Structural Information

Molecular Formula
C32H33N7O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO)C
InChI
InChI=1S/C32H33N7O4S/c1-21-20-22(2)34-32(33-21)37-44(42,43)24-12-10-23(11-13-24)35-29-25-6-3-4-9-28(25)36-30-26(29)7-5-8-27(30)31(41)39-16-14-38(15-17-39)18-19-40/h3-13,20,40H,14-19H2,1-2H3,(H,35,36)(H,33,34,37)
InChIKey
PWCALFKUVLRHKY-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-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

611.23145 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.23873 241.8
[M+Na]+ 634.22067 246.5
[M-H]- 610.22417 247.3
[M+NH4]+ 629.26527 237.2
[M+K]+ 650.19461 237.7
[M+H-H2O]+ 594.22871 227.9
[M+HCOO]- 656.22965 246.1
[M+CH3COO]- 670.24530 244.1
[M+Na-2H]- 632.20612 246.7
[M]+ 611.23090 242.2
[M]- 611.23200 242.2
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.