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]+ 385.13288 204.6
[M+Na]+ 407.11482 210.2
[M-H]- 383.11832 209.1
[M+NH4]+ 402.15942 213.7
[M+K]+ 423.08876 204.7
[M+H-H2O]+ 367.12286 189.2
[M+HCOO]- 429.12380 218.6
[M+CH3COO]- 443.13945 228.9
[M+Na-2H]- 405.10027 205.3
[M]+ 384.12505 199.2
[M]- 384.12615 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.