CID 114075

63704-63-2

Structural Information

Molecular Formula
C14H36N4O3P2
SMILES
CCN(C)P(=O)(N(CC)CC)OP(=O)(N(C)CC)N(CC)CC
InChI
InChI=1S/C14H36N4O3P2/c1-9-15(7)22(19,17(11-3)12-4)21-23(20,16(8)10-2)18(13-5)14-6/h9-14H2,1-8H3
InChIKey
DJIRWBPYSOWEQJ-UHFFFAOYSA-N
Compound name
N-[diethylamino-[diethylamino-[ethyl(methyl)amino]phosphoryl]oxyphosphoryl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.22626 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23354 212.2
[M+Na]+ 393.21548 228.1
[M-H]- 369.21898 220.1
[M+NH4]+ 388.26008 225.7
[M+K]+ 409.18942 218.8
[M+H-H2O]+ 353.22352 199.9
[M+HCOO]- 415.22446 222.7
[M+CH3COO]- 429.24011 243.6
[M+Na-2H]- 391.20093 203.6
[M]+ 370.22571 207.4
[M]- 370.22681 207.4
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.