CID 384529

Nsc674500

Structural Information

Molecular Formula
C22H20N4O4S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCO)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C22H20N4O4S/c23-31(29,30)15-10-8-14(9-11-15)25-20-16-4-1-2-7-19(16)26-21-17(20)5-3-6-18(21)22(28)24-12-13-27/h1-11,27H,12-13H2,(H,24,28)(H,25,26)(H2,23,29,30)
InChIKey
YOVNKCPYSFMDPL-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1205 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12778 196.7
[M+Na]+ 459.10972 203.7
[M-H]- 435.11322 201.9
[M+NH4]+ 454.15432 205.0
[M+K]+ 475.08366 197.3
[M+H-H2O]+ 419.11776 187.4
[M+HCOO]- 481.11870 212.1
[M+CH3COO]- 495.13435 232.2
[M+Na-2H]- 457.09517 204.9
[M]+ 436.11995 199.3
[M]- 436.12105 199.3
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.