CID 3069668

85008-93-1

Structural Information

Molecular Formula
C27H27N3O
SMILES
CC(CN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5)CN(C)C
InChI
InChI=1S/C27H27N3O/c1-19(17-29(2)3)18-30-23-15-9-7-13-21(23)25-26(20-11-5-4-6-12-20)28-31-27(25)22-14-8-10-16-24(22)30/h4-16,19H,17-18H2,1-3H3
InChIKey
OMRDTOVRBLZMQO-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-13-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.21542 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.22270 205.6
[M+Na]+ 432.20464 219.5
[M+NH4]+ 427.24924 213.6
[M+K]+ 448.17858 212.9
[M-H]- 408.20814 212.6
[M+Na-2H]- 430.19009 211.6
[M]+ 409.21487 209.9
[M]- 409.21597 209.9
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.