CID 9578827

Nsc627743

Structural Information

Molecular Formula
C22H20N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C
InChI
InChI=1S/C22H19N3O2S/c1-16-11-13-17(14-12-16)28(26,27)24-23-15-20-18-7-3-5-9-21(18)25(2)22-10-6-4-8-19(20)22/h3-15H,1-2H3/p+1
InChIKey
JOLIXFJVLMXCAU-UHFFFAOYSA-O
Compound name
4-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12762 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13490 192.5
[M+Na]+ 413.11684 201.9
[M-H]- 389.12034 201.4
[M+NH4]+ 408.16144 204.7
[M+K]+ 429.09078 189.3
[M+H-H2O]+ 373.12488 185.1
[M+HCOO]- 435.12582 210.7
[M+CH3COO]- 449.14147 219.0
[M+Na-2H]- 411.10229 203.4
[M]+ 390.12707 196.3
[M]- 390.12817 196.3
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.