CID 3005982

Chembl5179653

Structural Information

Molecular Formula
C21H25NO5
SMILES
CC(=CCOC1=CC(=C(C(=C1)OC)C(=O)NCC2=CC=C(C=C2)OC)O)C
InChI
InChI=1S/C21H25NO5/c1-14(2)9-10-27-17-11-18(23)20(19(12-17)26-4)21(24)22-13-15-5-7-16(25-3)8-6-15/h5-9,11-12,23H,10,13H2,1-4H3,(H,22,24)
InChIKey
BKEHCNGPWDZFCS-UHFFFAOYSA-N
Compound name
2-hydroxy-6-methoxy-N-[(4-methoxyphenyl)methyl]-4-(3-methylbut-2-enoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

371.17328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 189.3
[M+Na]+ 394.16250 194.6
[M-H]- 370.16600 194.5
[M+NH4]+ 389.20710 200.6
[M+K]+ 410.13644 191.6
[M+H-H2O]+ 354.17054 180.5
[M+HCOO]- 416.17148 210.1
[M+CH3COO]- 430.18713 219.6
[M+Na-2H]- 392.14795 188.5
[M]+ 371.17273 194.1
[M]- 371.17383 194.1
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

patents stripe