CID 363145

Nsc627729

Structural Information

Molecular Formula
C22H21N5O2S
SMILES
CC(C1=C2C=CC=CC2=NC3=CC=CC=C31)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C22H21N5O2S/c1-14(25-15-10-12-16(13-11-15)30(28,29)27-22(23)24)21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-14,25H,1H3,(H4,23,24,27)
InChIKey
HRIGVAWMROYHFD-UHFFFAOYSA-N
Compound name
2-[4-(1-acridin-9-ylethylamino)phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1416 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14888 193.6
[M+Na]+ 442.13082 200.2
[M-H]- 418.13432 200.7
[M+NH4]+ 437.17542 203.3
[M+K]+ 458.10476 194.1
[M+H-H2O]+ 402.13886 184.0
[M+HCOO]- 464.13980 211.1
[M+CH3COO]- 478.15545 202.1
[M+Na-2H]- 440.11627 201.6
[M]+ 419.14105 194.5
[M]- 419.14215 194.5
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.