CID 3072202

Brn 4886380

Structural Information

Molecular Formula
C21H24N2O5
SMILES
CC(CC(=O)O)N1C2=CC=CC=C2N=C1CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H24N2O5/c1-13(9-20(24)25)23-16-8-6-5-7-15(16)22-19(23)12-14-10-17(26-2)21(28-4)18(11-14)27-3/h5-8,10-11,13H,9,12H2,1-4H3,(H,24,25)
InChIKey
QVCVVRKOZPJBIX-UHFFFAOYSA-N
Compound name
3-[2-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16852 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17580 191.3
[M+Na]+ 407.15774 199.8
[M-H]- 383.16124 196.0
[M+NH4]+ 402.20234 202.6
[M+K]+ 423.13168 196.4
[M+H-H2O]+ 367.16578 182.2
[M+HCOO]- 429.16672 210.0
[M+CH3COO]- 443.18237 220.2
[M+Na-2H]- 405.14319 191.0
[M]+ 384.16797 200.0
[M]- 384.16907 200.0
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.