CID 97274

3143-88-2

Structural Information

Molecular Formula

C₁₃H₁₈N₃OP

SMILES

C=CCN(C1=CC=CC=C1)P(=O)(N2CC2)N3CC3

InChI

InChI=1S/C13H18N3OP/c1-2-8-16(13-6-4-3-5-7-13)18(17,14-9-10-14)15-11-12-15/h2-7H,1,8-12H2

InChIKey

QWGNUZJLNGSQTM-UHFFFAOYSA-N

Compound name

N-[bis(aziridin-1-yl)phosphoryl]-N-prop-2-enylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 263.11874 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.12602	177.6
[M+Na]+	286.10796	183.4
[M-H]-	262.11146	184.0
[M+NH4]+	281.15256	181.3
[M+K]+	302.08190	180.4
[M+H-H2O]+	246.11600	167.3
[M+HCOO]-	308.11694	200.9
[M+CH3COO]-	322.13259	210.8
[M+Na-2H]-	284.09341	177.7
[M]+	263.11819	181.2
[M]-	263.11929	181.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.