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 171.8
[M+Na]+ 331.14068 177.5
[M-H]- 307.14418 176.4
[M+NH4]+ 326.18528 184.9
[M+K]+ 347.11462 176.8
[M+H-H2O]+ 291.14872 159.4
[M+HCOO]- 353.14966 200.5
[M+CH3COO]- 367.16531 219.0
[M+Na-2H]- 329.12613 172.7
[M]+ 308.15091 174.0
[M]- 308.15201 174.0
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.