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

4
Patents

268.15756 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.164836 162.7
[M+Na]+ 291.146778 166.4
[M-H]- 267.150284 170.3
[M+NH4]+ 286.191383 175.1
[M+K]+ 307.120718 162.9
[M+H-H2O]+ 251.154820 152.6
[M+HCOO]- 313.155761 182.1
[M+CH3COO]- 327.171411 172.9
[M+Na-2H]- 289.132226 169.1
[M]+ 268.15701142 158.0
[M]- 268.15810858 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