CID 385773

Nsc677167

Structural Information

Molecular Formula
C21H20N6O2S
SMILES
CN1C2=CC=CC=C2C(=NNC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)C4=CC=CC=C41
InChI
InChI=1S/C21H20N6O2S/c1-27-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)27)25-24-14-10-12-15(13-11-14)30(28,29)26-21(22)23/h2-13,24H,1H3,(H4,22,23,26)
InChIKey
DPSMWGHJGBYYMX-UHFFFAOYSA-N
Compound name
2-[4-[2-(10-methylacridin-9-ylidene)hydrazinyl]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14412 193.4
[M+Na]+ 443.12606 201.6
[M-H]- 419.12956 202.2
[M+NH4]+ 438.17066 203.8
[M+K]+ 459.10000 195.4
[M+H-H2O]+ 403.13410 183.4
[M+HCOO]- 465.13504 214.7
[M+CH3COO]- 479.15069 202.9
[M+Na-2H]- 441.11151 203.2
[M]+ 420.13629 195.3
[M]- 420.13739 195.3
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.