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 163.1
[M+Na]+ 303.10937 169.3
[M-H]- 279.11287 164.9
[M+NH4]+ 298.15397 176.0
[M+K]+ 319.08331 166.3
[M+H-H2O]+ 263.11741 151.2
[M+HCOO]- 325.11835 191.3
[M+CH3COO]- 339.13400 206.5
[M+Na-2H]- 301.09482 166.2
[M]+ 280.11960 161.9
[M]- 280.12070 161.9
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.