CID 13943

Triamiphos

Structural Information

Molecular Formula
C12H19N6OP
SMILES
CN(C)P(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)N(C)C
InChI
InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)
InChIKey
BABJTMNVJXLAEX-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

9025
Patents

294.1358 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.143076 167.3
[M+Na]+ 317.125018 173.4
[M-H]- 293.128524 172.0
[M+NH4]+ 312.169623 180.9
[M+K]+ 333.098958 172.9
[M+H-H2O]+ 277.133060 155.0
[M+HCOO]- 339.134001 196.2
[M+CH3COO]- 353.149651 216.0
[M+Na-2H]- 315.110466 168.6
[M]+ 294.13525142 169.0
[M]- 294.13634858 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe