CID 385775

Nsc677169

Structural Information

Molecular Formula
C20H18N6O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C20H18N6O2S/c21-20(22)26-29(27,28)14-11-9-13(10-12-14)24-25-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1-12,24H,(H,23,25)(H4,21,22,26)
InChIKey
HJAFBKVABNXWAN-UHFFFAOYSA-N
Compound name
2-[4-(2-acridin-9-ylhydrazinyl)phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12848 185.0
[M+Na]+ 429.11042 192.2
[M-H]- 405.11392 192.3
[M+NH4]+ 424.15502 195.1
[M+K]+ 445.08436 185.9
[M+H-H2O]+ 389.11846 175.5
[M+HCOO]- 451.11940 205.2
[M+CH3COO]- 465.13505 194.2
[M+Na-2H]- 427.09587 196.1
[M]+ 406.12065 185.4
[M]- 406.12175 185.4
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.