CID 3054809

Acetamide, n-(4-(((((phenylmethyl)amino)(2-propynylamino)methylene)amino)sulfonyl)phenyl)-

Structural Information

Molecular Formula
C19H20N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)NCC#C
InChI
InChI=1S/C19H20N4O3S/c1-3-13-20-19(21-14-16-7-5-4-6-8-16)23-27(25,26)18-11-9-17(10-12-18)22-15(2)24/h1,4-12H,13-14H2,2H3,(H,22,24)(H2,20,21,23)
InChIKey
YEJVSCMGMWOVFF-UHFFFAOYSA-N
Compound name
N-[4-[(N'-benzyl-N-prop-2-ynylcarbamimidoyl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.132876 204.6
[M+Na]+ 407.114818 210.2
[M-H]- 383.118324 209.1
[M+NH4]+ 402.159423 213.7
[M+K]+ 423.088758 204.7
[M+H-H2O]+ 367.122860 189.2
[M+HCOO]- 429.123801 218.6
[M+CH3COO]- 443.139451 228.9
[M+Na-2H]- 405.100266 205.3
[M]+ 384.12505142 199.2
[M]- 384.12614858 199.2
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

No patent data available for this compound.