CID 219107

Glibutimine

Structural Information

Molecular Formula
C21H30N4O3S
SMILES
CCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2=N)C3CCC=CC3
InChI
InChI=1S/C21H30N4O3S/c1-2-6-20(26)23-14-13-17-9-11-19(12-10-17)29(27,28)25-16-15-24(21(25)22)18-7-4-3-5-8-18/h3-4,9-12,18,22H,2,5-8,13-16H2,1H3,(H,23,26)
InChIKey
NFGPIRVQFCRUFC-UHFFFAOYSA-N
Compound name
N-[2-[4-(3-cyclohex-3-en-1-yl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

418.20386 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.211136 200.1
[M+Na]+ 441.193078 202.7
[M-H]- 417.196584 205.9
[M+NH4]+ 436.237683 208.7
[M+K]+ 457.167018 197.1
[M+H-H2O]+ 401.201120 190.7
[M+HCOO]- 463.202061 211.8
[M+CH3COO]- 477.217711 226.5
[M+Na-2H]- 439.178526 197.9
[M]+ 418.20331142 197.7
[M]- 418.20440858 197.7
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

patents stripe