CID 385778

Nsc677172

Structural Information

Molecular Formula
C21H18N6O4S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H18N6O4S/c22-21(23)27-32(30,31)13-10-8-12(9-11-13)25-26-20(29)16-6-3-5-15-18(16)24-17-7-2-1-4-14(17)19(15)28/h1-11,25H,(H,24,28)(H,26,29)(H4,22,23,27)
InChIKey
ROHKAUFCCOHTQC-UHFFFAOYSA-N
Compound name
2-[4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazinyl]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.11102 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.11830 195.6
[M+Na]+ 473.10024 201.9
[M-H]- 449.10374 201.7
[M+NH4]+ 468.14484 202.8
[M+K]+ 489.07418 196.3
[M+H-H2O]+ 433.10828 186.2
[M+HCOO]- 495.10922 213.4
[M+CH3COO]- 509.12487 241.1
[M+Na-2H]- 471.08569 204.8
[M]+ 450.11047 195.5
[M]- 450.11157 195.5
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.