CID 20836059

15493-49-9

Structural Information

Molecular Formula
C13H18N3OP
SMILES
CCN(CC)P(=O)(C1=CC=CC=C1)N2C=CN=C2
InChI
InChI=1S/C13H18N3OP/c1-3-15(4-2)18(17,16-11-10-14-12-16)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKey
CDLPAPNLFRHDNM-UHFFFAOYSA-N
Compound name
N-ethyl-N-[imidazol-1-yl(phenyl)phosphoryl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11874 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12602 161.8
[M+Na]+ 286.10796 167.5
[M-H]- 262.11146 165.7
[M+NH4]+ 281.15256 177.8
[M+K]+ 302.08190 165.7
[M+H-H2O]+ 246.11600 150.3
[M+HCOO]- 308.11694 189.8
[M+CH3COO]- 322.13259 201.1
[M+Na-2H]- 284.09341 164.1
[M]+ 263.11819 163.9
[M]- 263.11929 163.9
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.