CID 24841652

Wp161

Structural Information

Molecular Formula
C11H25N6PS
SMILES
CCCCCC1=NN(C(=N1)N)P(=S)(N(C)C)N(C)C
InChI
InChI=1S/C11H25N6PS/c1-6-7-8-9-10-13-11(12)17(14-10)18(19,15(2)3)16(4)5/h6-9H2,1-5H3,(H2,12,13,14)
InChIKey
NWFZFJZVILGZKV-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphinothioyl]-5-pentyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1599 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16718 171.0
[M+Na]+ 327.14912 176.9
[M+NH4]+ 322.19372 175.9
[M+K]+ 343.12306 173.7
[M-H]- 303.15262 170.9
[M+Na-2H]- 325.13457 172.9
[M]+ 304.15935 171.7
[M]- 304.16045 171.7
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

No patent data available for this compound.