CID 3060551

Wp178

Structural Information

Molecular Formula
C13H21N6O2P
SMILES
CN(C)P(=O)(N1C(=NC(=N1)C2=CC=C(C=C2)OC)N)N(C)C
InChI
InChI=1S/C13H21N6O2P/c1-17(2)22(20,18(3)4)19-13(14)15-12(16-19)10-6-8-11(21-5)9-7-10/h6-9H,1-5H3,(H2,14,15,16)
InChIKey
XMXNIGVTNVKPKA-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.14636 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15364 174.6
[M+Na]+ 347.13558 180.9
[M-H]- 323.13908 179.5
[M+NH4]+ 342.18018 187.2
[M+K]+ 363.10952 180.9
[M+H-H2O]+ 307.14362 162.3
[M+HCOO]- 369.14456 203.3
[M+CH3COO]- 383.16021 222.4
[M+Na-2H]- 345.12103 175.0
[M]+ 324.14581 178.4
[M]- 324.14691 178.4
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.