CID 363146

Nsc627730

Structural Information

Molecular Formula
C22H21N3O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NCC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C22H21N3O3S/c1-28-22-13-15(25-29(2,26)27)11-12-21(22)23-14-18-16-7-3-5-9-19(16)24-20-10-6-4-8-17(18)20/h3-13,23,25H,14H2,1-2H3
InChIKey
NMDJDNDZHVPDQQ-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylmethylamino)-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.13037 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13765 193.8
[M+Na]+ 430.11959 202.8
[M-H]- 406.12309 201.1
[M+NH4]+ 425.16419 205.0
[M+K]+ 446.09353 196.2
[M+H-H2O]+ 390.12763 184.2
[M+HCOO]- 452.12857 211.1
[M+CH3COO]- 466.14422 203.5
[M+Na-2H]- 428.10504 202.6
[M]+ 407.12982 199.6
[M]- 407.13092 199.6
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.