CID 3039566

50820-89-8

Structural Information

Molecular Formula

C₂₁H₂₇N₃O

SMILES

CCCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)N(CC)CC)O

InChI

InChI=1S/C21H27N3O/c1-4-15-24-19-10-8-7-9-18(19)22-21(24)20(25)16-11-13-17(14-12-16)23(5-2)6-3/h7-14,20,25H,4-6,15H2,1-3H3

InChIKey

ZZLAJGOVKIFDNM-UHFFFAOYSA-N

Compound name

[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.21542 Da
Monoisotopic Mass: 4.0
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]+	338.222696	184.4
[M+Na]+	360.204638	191.3
[M-H]-	336.208144	189.6
[M+NH4]+	355.249243	198.0
[M+K]+	376.178578	186.3
[M+H-H2O]+	320.212680	174.7
[M+HCOO]-	382.213621	204.9
[M+CH3COO]-	396.229271	217.4
[M+Na-2H]-	358.190086	186.1
[M]+	337.21487142	188.6
[M]-	337.21596858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.