CID 101414

Phenidet

Structural Information

Molecular Formula

C₁₀H₁₄N₃OP

SMILES

C1CN1P(=O)(NC2=CC=CC=C2)N3CC3

InChI

InChI=1S/C10H14N3OP/c14-15(12-6-7-12,13-8-9-13)11-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,11,14)

InChIKey

GLASKHQEXPYJPF-UHFFFAOYSA-N

Compound name

N-[bis(aziridin-1-yl)phosphoryl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 223.08745 Da
Monoisotopic Mass: 1.3
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]+	224.09473	166.7
[M+Na]+	246.07667	173.3
[M-H]-	222.08017	172.3
[M+NH4]+	241.12127	171.3
[M+K]+	262.05061	170.4
[M+H-H2O]+	206.08471	157.0
[M+HCOO]-	268.08565	190.3
[M+CH3COO]-	282.10130	201.3
[M+Na-2H]-	244.06212	168.8
[M]+	223.08690	169.0
[M]-	223.08800	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe