CID 13180190

90358-81-9

Structural Information

Molecular Formula
C27H29N3O
SMILES
CC(CN1C2=CC=CC=C2C3C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5)CN(C)C
InChI
InChI=1S/C27H29N3O/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/h4-16,19,25,27H,17-18H2,1-3H3
InChIKey
LNJBBZFDTXABQV-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),4,7,9,11,14,16-heptaen-13-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.23105 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.23833 206.5
[M+Na]+ 434.22027 219.5
[M+NH4]+ 429.26487 214.4
[M+K]+ 450.19421 213.1
[M-H]- 410.22377 213.2
[M+Na-2H]- 432.20572 211.6
[M]+ 411.23050 210.5
[M]- 411.23160 210.5
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.