CID 6447582

Wp157

Structural Information

Molecular Formula
C14H21N6OP
SMILES
CN(C)P(=O)(N1C(=NC(=N1)/C=C/C2=CC=CC=C2)N)N(C)C
InChI
InChI=1S/C14H21N6OP/c1-18(2)22(21,19(3)4)20-14(15)16-13(17-20)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,15,16,17)/b11-10+
InChIKey
HRMZKUGPYQHXEQ-ZHACJKMWSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15874 173.7
[M+Na]+ 343.14068 182.1
[M+NH4]+ 338.18528 178.2
[M+K]+ 359.11462 180.4
[M-H]- 319.14418 175.5
[M+Na-2H]- 341.12613 179.3
[M]+ 320.15091 174.8
[M]- 320.15201 174.8
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.