CID 3060554

Phosphonic diamide, (5-amino-3-phenyl-1h-1,2,4-triazol-1-yl)n,n'-dimethyl

Structural Information

Molecular Formula
C10H15N6OP
SMILES
CNP(=O)(NC)N1C(=NC(=N1)C2=CC=CC=C2)N
InChI
InChI=1S/C10H15N6OP/c1-12-18(17,13-2)16-10(11)14-9(15-16)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,14,15)(H2,12,13,17)
InChIKey
MTIQGZGLHBNOCL-UHFFFAOYSA-N
Compound name
2-[bis(methylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11178 158.6
[M+Na]+ 289.09372 165.4
[M-H]- 265.09722 160.6
[M+NH4]+ 284.13832 172.1
[M+K]+ 305.06766 162.5
[M+H-H2O]+ 249.10176 146.9
[M+HCOO]- 311.10270 187.2
[M+CH3COO]- 325.11835 203.5
[M+Na-2H]- 287.07917 162.3
[M]+ 266.10395 157.1
[M]- 266.10505 157.1
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.