CID 3054807

71795-22-7

Structural Information

Molecular Formula
C17H23N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC#C)NC2CCCCC2
InChI
InChI=1S/C17H23N3O2S/c1-3-13-18-17(19-15-7-5-4-6-8-15)20-23(21,22)16-11-9-14(2)10-12-16/h1,9-12,15H,4-8,13H2,2H3,(H2,18,19,20)
InChIKey
ABYIASUXTMEZNY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-prop-2-ynylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1511 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15838 188.0
[M+Na]+ 356.14032 193.3
[M-H]- 332.14382 192.5
[M+NH4]+ 351.18492 199.7
[M+K]+ 372.11426 187.6
[M+H-H2O]+ 316.14836 173.9
[M+HCOO]- 378.14930 199.1
[M+CH3COO]- 392.16495 218.4
[M+Na-2H]- 354.12577 188.1
[M]+ 333.15055 179.5
[M]- 333.15165 179.5
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.