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]+ 327.17034 178.0
[M+Na]+ 349.15228 187.2
[M-H]- 325.15578 182.5
[M+NH4]+ 344.19688 191.9
[M+K]+ 365.12622 182.6
[M+H-H2O]+ 309.16032 169.1
[M+HCOO]- 371.16126 198.0
[M+CH3COO]- 385.17691 208.6
[M+Na-2H]- 347.13773 180.2
[M]+ 326.16251 184.1
[M]- 326.16361 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.