CID 370664

Nsc644040

Structural Information

Molecular Formula
C27H29N7O4S
SMILES
C1CN(CCN1CCO)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C27H29N7O4S/c28-27(29)32-39(37,38)19-10-8-18(9-11-19)30-24-20-4-1-2-7-23(20)31-25-21(24)5-3-6-22(25)26(36)34-14-12-33(13-15-34)16-17-35/h1-11,35H,12-17H2,(H,30,31)(H4,28,29,32)
InChIKey
AALVIHLXBXFNCU-UHFFFAOYSA-N
Compound name
2-[4-[[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

547.2002 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.20748 219.6
[M+Na]+ 570.18942 222.8
[M-H]- 546.19292 224.7
[M+NH4]+ 565.23402 220.1
[M+K]+ 586.16336 216.5
[M+H-H2O]+ 530.19746 208.3
[M+HCOO]- 592.19840 228.9
[M+CH3COO]- 606.21405 223.6
[M+Na-2H]- 568.17487 225.9
[M]+ 547.19965 217.6
[M]- 547.20075 217.6
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.