CID 434340

76503-78-1

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC1C(OC(C(CN1C)(C)C)N2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C19H30N2O2/c1-15-17(16-8-6-5-7-9-16)23-18(19(2,3)14-20(15)4)21-10-12-22-13-11-21/h5-9,15,17-18H,10-14H2,1-4H3
InChIKey
MOSYSGPJTJMMDV-UHFFFAOYSA-N
Compound name
3,4,6,6-tetramethyl-7-morpholin-4-yl-2-phenyl-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 177.8
[M+Na]+ 341.21996 181.0
[M-H]- 317.22346 185.6
[M+NH4]+ 336.26456 187.7
[M+K]+ 357.19390 183.4
[M+H-H2O]+ 301.22800 167.4
[M+HCOO]- 363.22894 188.7
[M+CH3COO]- 377.24459 186.3
[M+Na-2H]- 339.20541 178.4
[M]+ 318.23019 171.2
[M]- 318.23129 171.2
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.