CID 1554971

Nsc16882

Structural Information

Molecular Formula
C14H22N4S2
SMILES
C1CCC2(CC1)NC(=S)N3N2C(=S)NC34CCCCC4
InChI
InChI=1S/C14H22N4S2/c19-11-15-13(7-3-1-4-8-13)17-12(20)16-14(18(11)17)9-5-2-6-10-14/h1-10H2,(H,15,19)(H,16,20)
InChIKey
UPYCRYBENBNYON-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1286 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13588 170.0
[M+Na]+ 333.11782 176.8
[M-H]- 309.12132 168.9
[M+NH4]+ 328.16242 188.1
[M+K]+ 349.09176 170.5
[M+H-H2O]+ 293.12586 164.4
[M+HCOO]- 355.12680 167.6
[M+CH3COO]- 369.14245 177.2
[M+Na-2H]- 331.10327 166.4
[M]+ 310.12805 160.0
[M]- 310.12915 160.0
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.