CID 23188887

945828-50-2

Structural Information

Molecular Formula

C₁₉H₂₅N₃O₂

SMILES

CCOC(=O)NC1=C(C=C(C=C1)NCC2=C(C=C(C=C2C)C)C)N

InChI

InChI=1S/C19H25N3O2/c1-5-24-19(23)22-18-7-6-15(10-17(18)20)21-11-16-13(3)8-12(2)9-14(16)4/h6-10,21H,5,11,20H2,1-4H3,(H,22,23)

InChIKey

SCOOTUMXCXKEAD-UHFFFAOYSA-N

Compound name

ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 73
Patents: 327.19467 Da
Monoisotopic Mass: 3.8
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]+	328.20195	182.4
[M+Na]+	350.18389	193.7
[M+NH4]+	345.22849	188.8
[M+K]+	366.15783	186.8
[M-H]-	326.18739	187.6
[M+Na-2H]-	348.16934	188.6
[M]+	327.19412	185.2
[M]-	327.19522	185.2

Literature stripe

literature stripe

Patent stripe

patents stripe