CID 3060480

Wp257

Structural Information

Molecular Formula
C11H17N6OP
SMILES
CNP(=O)(NC)N1C(=NC(=N1)CC2=CC=CC=C2)N
InChI
InChI=1S/C11H17N6OP/c1-13-19(18,14-2)17-11(12)15-10(16-17)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,12,15,16)(H2,13,14,18)
InChIKey
QOEGWRIDUUKXSX-UHFFFAOYSA-N
Compound name
5-benzyl-2-[bis(methylamino)phosphoryl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.12015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12743 162.6
[M+Na]+ 303.10937 171.1
[M+NH4]+ 298.15397 167.4
[M+K]+ 319.08331 169.2
[M-H]- 279.11287 164.1
[M+Na-2H]- 301.09482 168.4
[M]+ 280.11960 163.6
[M]- 280.12070 163.6
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.