CID 13180188

90358-77-3

Structural Information

Molecular Formula
C25H25N3O
SMILES
CN(C)CCN1C2=CC=CC=C2C3C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5
InChI
InChI=1S/C25H25N3O/c1-27(2)16-17-28-21-14-8-6-12-19(21)23-24(18-10-4-3-5-11-18)26-29-25(23)20-13-7-9-15-22(20)28/h3-15,23,25H,16-17H2,1-2H3
InChIKey
GKJFUEIAWMRNEL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(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)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.19977 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.207046 195.8
[M+Na]+ 406.188988 203.2
[M-H]- 382.192494 205.4
[M+NH4]+ 401.233593 207.9
[M+K]+ 422.162928 201.0
[M+H-H2O]+ 366.197030 186.4
[M+HCOO]- 428.197971 212.6
[M+CH3COO]- 442.213621 205.1
[M+Na-2H]- 404.174436 199.3
[M]+ 383.19922142 195.9
[M]- 383.20031858 195.9
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.