CID 13947

Heptolamide

Structural Information

Molecular Formula
C15H22N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCCC2
InChI
InChI=1S/C15H22N2O3S/c1-12-8-10-14(11-9-12)21(19,20)17-15(18)16-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H2,16,17,18)
InChIKey
QCCIACYFEQKAMZ-UHFFFAOYSA-N
Compound name
1-cycloheptyl-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

310.1351 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14238 171.5
[M+Na]+ 333.12432 172.4
[M-H]- 309.12782 177.7
[M+NH4]+ 328.16892 184.3
[M+K]+ 349.09826 174.6
[M+H-H2O]+ 293.13236 164.4
[M+HCOO]- 355.13330 185.9
[M+CH3COO]- 369.14895 205.0
[M+Na-2H]- 331.10977 172.8
[M]+ 310.13455 165.5
[M]- 310.13565 165.5
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.