CID 3039569

50820-92-3

Structural Information

Molecular Formula
C19H23N3O
SMILES
CCN(CC)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C)O
InChI
InChI=1S/C19H23N3O/c1-4-22(5-2)15-12-10-14(11-13-15)18(23)19-20-16-8-6-7-9-17(16)21(19)3/h6-13,18,23H,4-5H2,1-3H3
InChIKey
ULWCCPQNNXBOIA-UHFFFAOYSA-N
Compound name
[4-(diethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 175.2
[M+Na]+ 332.173318 183.1
[M-H]- 308.176824 180.8
[M+NH4]+ 327.217923 190.0
[M+K]+ 348.147258 178.5
[M+H-H2O]+ 292.181360 165.9
[M+HCOO]- 354.182301 196.5
[M+CH3COO]- 368.197951 211.5
[M+Na-2H]- 330.158766 178.0
[M]+ 309.18355142 178.7
[M]- 309.18464858 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.