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 203.1
[M+Na]+ 459.14614 206.5
[M-H]- 435.14964 212.9
[M+NH4]+ 454.19074 211.1
[M+K]+ 475.12008 201.8
[M+H-H2O]+ 419.15418 192.7
[M+HCOO]- 481.15512 221.8
[M+CH3COO]- 495.17077 239.9
[M+Na-2H]- 457.13159 204.5
[M]+ 436.15637 203.0
[M]- 436.15747 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