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]+ 353.18596 185.3
[M+Na]+ 375.16790 190.3
[M-H]- 351.17140 194.5
[M+NH4]+ 370.21250 198.5
[M+K]+ 391.14184 186.5
[M+H-H2O]+ 335.17594 175.1
[M+HCOO]- 397.17688 207.7
[M+CH3COO]- 411.19253 216.9
[M+Na-2H]- 373.15335 185.1
[M]+ 352.17813 186.9
[M]- 352.17923 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.