CID 161391

Org gc 94

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC1=CC2=C(C=C1)OC3=CC=CC=C3C4N2CCN(C4)C
InChI
InChI=1S/C18H20N2O/c1-13-7-8-18-15(11-13)20-10-9-19(2)12-16(20)14-5-3-4-6-17(14)21-18/h3-8,11,16H,9-10,12H2,1-2H3
InChIKey
AQCUOHAOVDYWGZ-UHFFFAOYSA-N
Compound name
5,18-dimethyl-14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

280.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 164.4
[M+Na]+ 303.146778 172.3
[M-H]- 279.150284 169.5
[M+NH4]+ 298.191383 179.0
[M+K]+ 319.120718 171.2
[M+H-H2O]+ 263.154820 156.4
[M+HCOO]- 325.155761 177.5
[M+CH3COO]- 339.171411 174.8
[M+Na-2H]- 301.132226 171.0
[M]+ 280.15701142 160.9
[M]- 280.15810858 160.9
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

No patent data available for this compound.