CID 115869

Thompson-hayward t-h 265-f

Structural Information

Molecular Formula
C15H25N6OP
SMILES
CC(C)C1=NN=C(N1P(=O)(N(C)C)N(C)C)C2=CC(=CC=C2)N
InChI
InChI=1S/C15H25N6OP/c1-11(2)14-17-18-15(12-8-7-9-13(16)10-12)21(14)23(22,19(3)4)20(5)6/h7-11H,16H2,1-6H3
InChIKey
XOBOVIPWGXWVIS-UHFFFAOYSA-N
Compound name
3-[4-[bis(dimethylamino)phosphoryl]-5-propan-2-yl-1,2,4-triazol-3-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18274 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19002 181.3
[M+Na]+ 359.17196 186.8
[M-H]- 335.17546 186.1
[M+NH4]+ 354.21656 193.5
[M+K]+ 375.14590 186.2
[M+H-H2O]+ 319.18000 169.1
[M+HCOO]- 381.18094 208.2
[M+CH3COO]- 395.19659 227.0
[M+Na-2H]- 357.15741 179.4
[M]+ 336.18219 184.0
[M]- 336.18329 184.0
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.