CID 5503

Tolazamide

Structural Information

Molecular Formula
C14H21N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2
InChI
InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
InChIKey
OUDSBRTVNLOZBN-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

240
References

34340
Patents

311.13037 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13765 171.3
[M+Na]+ 334.11959 172.8
[M-H]- 310.12309 176.4
[M+NH4]+ 329.16419 182.8
[M+K]+ 350.09353 175.0
[M+H-H2O]+ 294.12763 162.9
[M+HCOO]- 356.12857 184.9
[M+CH3COO]- 370.14422 204.7
[M+Na-2H]- 332.10504 173.2
[M]+ 311.12982 165.4
[M]- 311.13092 165.4
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.