CID 3046148

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

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)OC(=O)CN3CCOCC3)OC
InChI
InChI=1S/C21H24N2O4/c1-16-3-6-18(7-4-16)22-14-17-5-8-19(20(13-17)25-2)27-21(24)15-23-9-11-26-12-10-23/h3-8,13-14H,9-12,15H2,1-2H3
InChIKey
GMIWZHJSBHWPJK-UHFFFAOYSA-N
Compound name
[2-methoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 2-morpholin-4-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 189.5
[M+Na]+ 391.16282 193.7
[M-H]- 367.16632 198.8
[M+NH4]+ 386.20742 198.6
[M+K]+ 407.13676 191.6
[M+H-H2O]+ 351.17086 178.2
[M+HCOO]- 413.17180 208.9
[M+CH3COO]- 427.18745 219.9
[M+Na-2H]- 389.14827 191.6
[M]+ 368.17305 190.8
[M]- 368.17415 190.8
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.