CID 73052182

Amidine compound 5

Structural Information

Molecular Formula
C22H22N4O3S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)C2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C22H22N4O3S/c1-14-11-19(30(25,28)29)9-10-20(14)17-3-2-4-18(12-17)22(27)26-13-15-5-7-16(8-6-15)21(23)24/h2-12H,13H2,1H3,(H3,23,24)(H,26,27)(H2,25,28,29)
InChIKey
QDCYPEUVWUOSBP-UHFFFAOYSA-N
Compound name
N-[(4-carbamimidoylphenyl)methyl]-3-(2-methyl-4-sulfamoylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

422.14127 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14855 198.7
[M+Na]+ 445.13049 208.4
[M+NH4]+ 440.17509 203.6
[M+K]+ 461.10443 201.5
[M-H]- 421.13399 204.6
[M+Na-2H]- 443.11594 206.6
[M]+ 422.14072 201.9
[M]- 422.14182 201.9
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