CID 100777

4-(p-anilinobenzyl)-morpholine

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1COCCN1CC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O/c1-2-4-16(5-3-1)18-17-8-6-15(7-9-17)14-19-10-12-20-13-11-19/h1-9,18H,10-14H2
InChIKey
PSCDYTTVVQKADI-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethyl)-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.15756 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 162.7
[M+Na]+ 291.14678 166.4
[M-H]- 267.15028 170.3
[M+NH4]+ 286.19138 175.1
[M+K]+ 307.12072 162.9
[M+H-H2O]+ 251.15482 152.6
[M+HCOO]- 313.15576 182.1
[M+CH3COO]- 327.17141 172.9
[M+Na-2H]- 289.13223 169.1
[M]+ 268.15701 158.0
[M]- 268.15811 158.0
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

patents stripe