CID 870242

Cbmicro_024962

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CC1=CC=C(C=C1)NCC(=O)NN=CC2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C18H21N3O3/c1-13-4-6-15(7-5-13)19-12-18(22)21-20-11-14-10-16(23-2)8-9-17(14)24-3/h4-11,19H,12H2,1-3H3,(H,21,22)
InChIKey
PTSWLQVBIWPGOF-UHFFFAOYSA-N
Compound name
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.165576 177.1
[M+Na]+ 350.147518 182.6
[M-H]- 326.151024 185.1
[M+NH4]+ 345.192123 190.9
[M+K]+ 366.121458 179.9
[M+H-H2O]+ 310.155560 167.6
[M+HCOO]- 372.156501 204.7
[M+CH3COO]- 386.172151 219.3
[M+Na-2H]- 348.132966 181.4
[M]+ 327.15775142 180.5
[M]- 327.15884858 180.5
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.