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]+ 437.164196 203.1
[M+Na]+ 459.146138 206.5
[M-H]- 435.149644 212.9
[M+NH4]+ 454.190743 211.1
[M+K]+ 475.120078 201.8
[M+H-H2O]+ 419.154180 192.7
[M+HCOO]- 481.155121 221.8
[M+CH3COO]- 495.170771 239.9
[M+Na-2H]- 457.131586 204.5
[M]+ 436.15637142 203.0
[M]- 436.15746858 203.0
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