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 175.7
[M+Na]+ 343.14068 181.3
[M-H]- 319.14418 180.1
[M+NH4]+ 338.18528 188.3
[M+K]+ 359.11462 179.8
[M+H-H2O]+ 303.14872 163.1
[M+HCOO]- 365.14966 204.2
[M+CH3COO]- 379.16531 220.4
[M+Na-2H]- 341.12613 176.0
[M]+ 320.15091 177.4
[M]- 320.15201 177.4
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.