CID 114072

63704-60-9

Structural Information

Molecular Formula
C12H32N4O3P2
SMILES
CCN(CC)P(=O)(N(C)C)OP(=O)(N(C)C)N(CC)CC
InChI
InChI=1S/C12H32N4O3P2/c1-9-15(10-2)20(17,13(5)6)19-21(18,14(7)8)16(11-3)12-4/h9-12H2,1-8H3
InChIKey
ZPFAMENELPQWLE-UHFFFAOYSA-N
Compound name
N-[[diethylamino(dimethylamino)phosphoryl]oxy-(dimethylamino)phosphoryl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19498 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20226 204.8
[M+Na]+ 365.18420 221.1
[M-H]- 341.18770 213.5
[M+NH4]+ 360.22880 218.4
[M+K]+ 381.15814 211.0
[M+H-H2O]+ 325.19224 173.7
[M+HCOO]- 387.19318 216.1
[M+CH3COO]- 401.20883 237.7
[M+Na-2H]- 363.16965 184.0
[M]+ 342.19443 200.2
[M]- 342.19553 200.2
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.