CID 3077666

135017-91-3

Structural Information

Molecular Formula
C18H24N6OS
SMILES
C1CN(C(=C(C#N)C#N)N1)CCNCC2=CC=C(O2)CN3CCSCC3
InChI
InChI=1S/C18H24N6OS/c19-11-15(12-20)18-22-4-6-24(18)5-3-21-13-16-1-2-17(25-16)14-23-7-9-26-10-8-23/h1-2,21-22H,3-10,13-14H2
InChIKey
KABXIVJJYZKNDV-UHFFFAOYSA-N
Compound name
2-[1-[2-[[5-(thiomorpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

372.17322 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18050 198.1
[M+Na]+ 395.16244 203.2
[M+NH4]+ 390.20704 197.1
[M+K]+ 411.13638 194.2
[M-H]- 371.16594 188.9
[M+Na-2H]- 393.14789 194.7
[M]+ 372.17267 194.9
[M]- 372.17377 194.9
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