CID 3037325

Nocrac ns 10

Structural Information

Molecular Formula
C11H26N4S
SMILES
CN(C)CCCNC(=S)NCCCN(C)C
InChI
InChI=1S/C11H26N4S/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)
InChIKey
YLMXNQPOOVZIHK-UHFFFAOYSA-N
Compound name
1,3-bis[3-(dimethylamino)propyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

831
Patents

246.18782 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19510 162.5
[M+Na]+ 269.17704 164.4
[M-H]- 245.18054 164.5
[M+NH4]+ 264.22164 180.2
[M+K]+ 285.15098 164.1
[M+H-H2O]+ 229.18508 154.2
[M+HCOO]- 291.18602 182.7
[M+CH3COO]- 305.20167 211.2
[M+Na-2H]- 267.16249 162.2
[M]+ 246.18727 165.2
[M]- 246.18837 165.2
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