CID 3046150

4-methylanilino-(3-methoxy-4-pyrrolidinoacetoxy)benzylidene hydrochloride

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)OC(=O)CN3CCCC3)OC
InChI
InChI=1S/C21H24N2O3/c1-16-5-8-18(9-6-16)22-14-17-7-10-19(20(13-17)25-2)26-21(24)15-23-11-3-4-12-23/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKey
JRHNEBTUEVDQAT-UHFFFAOYSA-N
Compound name
[2-methoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 2-pyrrolidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 185.3
[M+Na]+ 375.167898 190.3
[M-H]- 351.171404 194.5
[M+NH4]+ 370.212503 198.5
[M+K]+ 391.141838 186.5
[M+H-H2O]+ 335.175940 175.1
[M+HCOO]- 397.176881 207.7
[M+CH3COO]- 411.192531 216.9
[M+Na-2H]- 373.153346 185.1
[M]+ 352.17813142 186.9
[M]- 352.17922858 186.9
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.