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 199.2
[M+Na]+ 445.13049 203.9
[M-H]- 421.13399 207.7
[M+NH4]+ 440.17509 207.3
[M+K]+ 461.10443 197.7
[M+H-H2O]+ 405.13853 189.4
[M+HCOO]- 467.13947 217.1
[M+CH3COO]- 481.15512 235.0
[M+Na-2H]- 443.11594 200.1
[M]+ 422.14072 197.1
[M]- 422.14182 197.1
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