CID 73052013

Amidine compound 4

Structural Information

Molecular Formula
C23H24N4O3S
SMILES
CN(C)S(=O)(=O)C1=CC=CC=C1C2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C23H24N4O3S/c1-27(2)31(29,30)21-9-4-3-8-20(21)18-6-5-7-19(14-18)23(28)26-15-16-10-12-17(13-11-16)22(24)25/h3-14H,15H2,1-2H3,(H3,24,25)(H,26,28)
InChIKey
PJHSDMZESVNZHU-UHFFFAOYSA-N
Compound name
N-[(4-carbamimidoylphenyl)methyl]-3-[2-(dimethylsulfamoyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

436.15692 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16420 201.7
[M+Na]+ 459.14614 211.3
[M+NH4]+ 454.19074 206.8
[M+K]+ 475.12008 204.4
[M-H]- 435.14964 208.0
[M+Na-2H]- 457.13159 210.5
[M]+ 436.15637 205.0
[M]- 436.15747 205.0
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

patents stripe