CID 3060477

78149-97-0

Structural Information

Molecular Formula
C13H20N5O2P
SMILES
CCCOP(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)N(C)C
InChI
InChI=1S/C13H20N5O2P/c1-4-10-20-21(19,17(2)3)18-13(14)15-12(16-18)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H2,14,15,16)
InChIKey
QRFLZAUPDQVBSV-UHFFFAOYSA-N
Compound name
2-[dimethylamino(propoxy)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.13547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14275 171.9
[M+Na]+ 332.12469 178.1
[M-H]- 308.12819 174.8
[M+NH4]+ 327.16929 184.5
[M+K]+ 348.09863 176.5
[M+H-H2O]+ 292.13273 159.7
[M+HCOO]- 354.13367 199.1
[M+CH3COO]- 368.14932 212.7
[M+Na-2H]- 330.11014 172.8
[M]+ 309.13492 174.7
[M]- 309.13602 174.7
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.