CID 18752

Asulam

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
InChIKey
VGPYEHKOIGNJKV-UHFFFAOYSA-N
Compound name
methyl N-(4-aminophenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

41
References

22649
Patents

230.03613 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 146.1
[M+Na]+ 253.02535 153.6
[M-H]- 229.02885 149.6
[M+NH4]+ 248.06995 163.5
[M+K]+ 268.99929 151.3
[M+H-H2O]+ 213.03339 139.7
[M+HCOO]- 275.03433 165.7
[M+CH3COO]- 289.04998 188.2
[M+Na-2H]- 251.01080 150.5
[M]+ 230.03558 147.8
[M]- 230.03668 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe