CID 9556226

Chembl1958253

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CN(C)CC1=C(C=CC(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C18H21N3O3/c1-21(2)12-15-10-14(6-9-17(15)22)18(23)20-19-11-13-4-7-16(24-3)8-5-13/h4-11,22H,12H2,1-3H3,(H,20,23)/b19-11+
InChIKey
HSMCOUDGGGGSNH-YBFXNURJSA-N
Compound name
3-[(dimethylamino)methyl]-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.1583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 177.8
[M+Na]+ 350.14752 183.0
[M-H]- 326.15102 185.9
[M+NH4]+ 345.19212 191.5
[M+K]+ 366.12146 180.9
[M+H-H2O]+ 310.15556 168.4
[M+HCOO]- 372.15650 204.3
[M+CH3COO]- 386.17215 220.2
[M+Na-2H]- 348.13297 180.8
[M]+ 327.15775 180.6
[M]- 327.15885 180.6
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.