CID 2835576

50616-74-5

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCCN1C2=CC=CC=C2N=C1C(C3=CC(=C(C=C3)OC)OC)O
InChI
InChI=1S/C19H22N2O3/c1-4-11-21-15-8-6-5-7-14(15)20-19(21)18(22)13-9-10-16(23-2)17(12-13)24-3/h5-10,12,18,22H,4,11H2,1-3H3
InChIKey
AMKXEOBKCZJISJ-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

326.16306 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 178.0
[M+Na]+ 349.152278 187.2
[M-H]- 325.155784 182.5
[M+NH4]+ 344.196883 191.9
[M+K]+ 365.126218 182.6
[M+H-H2O]+ 309.160320 169.1
[M+HCOO]- 371.161261 198.0
[M+CH3COO]- 385.176911 208.6
[M+Na-2H]- 347.137726 180.2
[M]+ 326.16251142 184.1
[M]- 326.16360858 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.