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

34510
Patents

311.13037 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.137646 171.3
[M+Na]+ 334.119588 172.8
[M-H]- 310.123094 176.4
[M+NH4]+ 329.164193 182.8
[M+K]+ 350.093528 175.0
[M+H-H2O]+ 294.127630 162.9
[M+HCOO]- 356.128571 184.9
[M+CH3COO]- 370.144221 204.7
[M+Na-2H]- 332.105036 173.2
[M]+ 311.12982142 165.4
[M]- 311.13091858 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

literature stripe

Patent stripe

patents stripe