CID 86171

119313-12-1

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C
InChI
InChI=1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
InChIKey
UHFFVFAKEGKNAQ-UHFFFAOYSA-N
Compound name
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

82200
Patents

366.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 191.5
[M+Na]+ 389.21996 192.9
[M-H]- 365.22346 199.8
[M+NH4]+ 384.26456 200.2
[M+K]+ 405.19390 190.6
[M+H-H2O]+ 349.22800 180.6
[M+HCOO]- 411.22894 207.0
[M+CH3COO]- 425.24459 222.4
[M+Na-2H]- 387.20541 193.7
[M]+ 366.23019 189.6
[M]- 366.23129 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe