CID 29900

19996-88-4

Structural Information

Molecular Formula

C₁₈H₂₁N₃O

SMILES

CN1CCC(C1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O/c1-20-13-12-17(14-20)21(16-10-6-3-7-11-16)18(22)19-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,19,22)

InChIKey

BAZXEKWTWJMZMP-UHFFFAOYSA-N

Compound name

1-(1-methylpyrrolidin-3-yl)-1,3-diphenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.16846 Da
Monoisotopic Mass: 2.9
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]+	296.175736	169.6
[M+Na]+	318.157678	172.9
[M-H]-	294.161184	178.7
[M+NH4]+	313.202283	184.5
[M+K]+	334.131618	169.7
[M+H-H2O]+	278.165720	159.7
[M+HCOO]-	340.166661	192.6
[M+CH3COO]-	354.182311	208.1
[M+Na-2H]-	316.143126	171.8
[M]+	295.16791142	166.1
[M]-	295.16900858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe