CID 335981

Nsc348894

Structural Information

Molecular Formula
C21H19N5O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H19N5O2S/c22-21(23)26-29(27,28)15-11-9-14(10-12-15)24-13-18-16-5-1-3-7-19(16)25-20-8-4-2-6-17(18)20/h1-12,24H,13H2,(H4,22,23,26)
InChIKey
RXMJKDVBBVPVDA-UHFFFAOYSA-N
Compound name
2-[4-(acridin-9-ylmethylamino)phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12595 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13323 189.1
[M+Na]+ 428.11517 196.6
[M-H]- 404.11867 196.3
[M+NH4]+ 423.15977 199.5
[M+K]+ 444.08911 189.9
[M+H-H2O]+ 388.12321 179.5
[M+HCOO]- 450.12415 207.9
[M+CH3COO]- 464.13980 198.2
[M+Na-2H]- 426.10062 198.4
[M]+ 405.12540 190.2
[M]- 405.12650 190.2
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.