CID 360033

Phenanilguanidine

Structural Information

Molecular Formula
C26H21N5O2S
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(=NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)C5=CC=CC=C52
InChI
InChI=1S/C26H21N5O2S/c27-26(28)30-34(32,33)20-16-14-18(15-17-20)29-25-21-10-4-6-12-23(21)31(19-8-2-1-3-9-19)24-13-7-5-11-22(24)25/h1-17H,(H4,27,28,30)
InChIKey
IEHGGWIIRGLLDX-UHFFFAOYSA-N
Compound name
2-[4-[(10-phenylacridin-9-ylidene)amino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.1416 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.14888 207.8
[M+Na]+ 490.13082 215.9
[M-H]- 466.13432 219.1
[M+NH4]+ 485.17542 215.9
[M+K]+ 506.10476 208.3
[M+H-H2O]+ 450.13886 196.4
[M+HCOO]- 512.13980 227.5
[M+CH3COO]- 526.15545 216.3
[M+Na-2H]- 488.11627 216.8
[M]+ 467.14105 209.2
[M]- 467.14215 209.2
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.