CID 498407

Nsc627749

Structural Information

Molecular Formula
C22H22N5O2S
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C22H22N5O2S/c1-27-20-8-4-2-6-17(20)19(18-7-3-5-9-21(18)27)14-25-15-10-12-16(13-11-15)30(28,29)26-22(23)24/h2-13,25H,14H2,1H3,(H4,23,24,26)/q+1
InChIKey
PXGJLOYHBSBXTH-UHFFFAOYSA-N
Compound name
2-[4-[(10-methylacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1494 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15668 194.0
[M+Na]+ 443.13862 201.1
[M-H]- 419.14212 201.5
[M+NH4]+ 438.18322 203.6
[M+K]+ 459.11256 188.8
[M+H-H2O]+ 403.14666 186.8
[M+HCOO]- 465.14760 211.9
[M+CH3COO]- 479.16325 228.9
[M+Na-2H]- 441.12407 204.7
[M]+ 420.14885 194.4
[M]- 420.14995 194.4
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.