CID 3060547

Phosphonic diamide, (5-amino-3-p-chlorophenyl-1h-1,2,4-triazol-1-yl)-n,n,n',n'-tetramethyl

Structural Information

Molecular Formula
C12H18ClN6OP
SMILES
CN(C)P(=O)(N1C(=NC(=N1)C2=CC=C(C=C2)Cl)N)N(C)C
InChI
InChI=1S/C12H18ClN6OP/c1-17(2)21(20,18(3)4)19-12(14)15-11(16-19)9-5-7-10(13)8-6-9/h5-8H,1-4H3,(H2,14,15,16)
InChIKey
LUNQNSWPZFTKNH-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-(4-chlorophenyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.09683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10411 174.1
[M+Na]+ 351.08605 181.9
[M-H]- 327.08955 179.0
[M+NH4]+ 346.13065 187.5
[M+K]+ 367.05999 179.6
[M+H-H2O]+ 311.09409 162.4
[M+HCOO]- 373.09503 198.3
[M+CH3COO]- 387.11068 220.7
[M+Na-2H]- 349.07150 174.3
[M]+ 328.09628 178.3
[M]- 328.09738 178.3
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.