CID 40687

53222-14-3

Structural Information

Molecular Formula
C22H20N4O3S
SMILES
CC(=O)NC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)NS(=O)(=O)C
InChI
InChI=1S/C22H20N4O3S/c1-14(27)23-17-11-12-19-21(13-17)25-20-6-4-3-5-18(20)22(19)24-15-7-9-16(10-8-15)26-30(2,28)29/h3-13,26H,1-2H3,(H,23,27)(H,24,25)
InChIKey
VGOQIGILSSXAAA-UHFFFAOYSA-N
Compound name
N-[9-[4-(methanesulfonamido)anilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

420.1256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13288 195.1
[M+Na]+ 443.11482 202.9
[M-H]- 419.11832 202.2
[M+NH4]+ 438.15942 205.1
[M+K]+ 459.08876 196.7
[M+H-H2O]+ 403.12286 185.5
[M+HCOO]- 465.12380 212.4
[M+CH3COO]- 479.13945 204.1
[M+Na-2H]- 441.10027 204.0
[M]+ 420.12505 199.0
[M]- 420.12615 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.