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 170.9
[M+Na]+ 327.14912 176.7
[M-H]- 303.15262 172.1
[M+NH4]+ 322.19372 185.4
[M+K]+ 343.12306 175.6
[M+H-H2O]+ 287.15716 159.6
[M+HCOO]- 349.15810 193.6
[M+CH3COO]- 363.17375 218.9
[M+Na-2H]- 325.13457 167.7
[M]+ 304.15935 175.4
[M]- 304.16045 175.4
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.