CID 3080001

Thiourea, bis(1-methyl-2-pyrrolidinylidene)-

Structural Information

Molecular Formula
C11H18N4S
SMILES
CN1CCC2C1=NC(=S)NC23CCCN3C
InChI
InChI=1S/C11H18N4S/c1-14-7-4-8-9(14)12-10(16)13-11(8)5-3-6-15(11)2/h8H,3-7H2,1-2H3,(H,13,16)
InChIKey
NCBUHRJRBXZJBD-UHFFFAOYSA-N
Compound name
1',7-dimethylspiro[3,4a,5,6-tetrahydropyrrolo[2,3-d]pyrimidine-4,2'-pyrrolidine]-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12521 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13249 156.2
[M+Na]+ 261.11443 165.6
[M-H]- 237.11793 156.4
[M+NH4]+ 256.15903 176.0
[M+K]+ 277.08837 161.2
[M+H-H2O]+ 221.12247 149.6
[M+HCOO]- 283.12341 164.7
[M+CH3COO]- 297.13906 166.7
[M+Na-2H]- 259.09988 154.0
[M]+ 238.12466 152.4
[M]- 238.12576 152.4
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.