CID 24841613

Wp156

Structural Information

Molecular Formula
C13H21N6OP
SMILES
CN(C)P(=O)(N1C(=NC(=N1)CC2=CC=CC=C2)N)N(C)C
InChI
InChI=1S/C13H21N6OP/c1-17(2)21(20,18(3)4)19-13(14)15-12(16-19)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,14,15,16)
InChIKey
RRTZOARYCRFMFZ-UHFFFAOYSA-N
Compound name
5-benzyl-2-[bis(dimethylamino)phosphoryl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15146 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15874 170.2
[M+Na]+ 331.14068 178.7
[M+NH4]+ 326.18528 175.2
[M+K]+ 347.11462 177.4
[M-H]- 307.14418 172.3
[M+Na-2H]- 329.12613 176.1
[M]+ 308.15091 171.5
[M]- 308.15201 171.5
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.