CID 5070896

65639-43-2

Structural Information

Molecular Formula
C19H24N2O2
SMILES
C1CNCC2=CC=CC=C2OCCOC3=CC=CC=C3CNC1
InChI
InChI=1S/C19H24N2O2/c1-3-8-18-16(6-1)14-20-10-5-11-21-15-17-7-2-4-9-19(17)23-13-12-22-18/h1-4,6-9,20-21H,5,10-15H2
InChIKey
CHCYHXIUMOKQRL-UHFFFAOYSA-N
Compound name
2,5-dioxa-13,17-diazatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

312.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.191056 170.7
[M+Na]+ 335.172998 173.8
[M-H]- 311.176504 169.1
[M+NH4]+ 330.217603 176.7
[M+K]+ 351.146938 171.1
[M+H-H2O]+ 295.181040 165.0
[M+HCOO]- 357.181981 178.7
[M+CH3COO]- 371.197631 177.1
[M+Na-2H]- 333.158446 176.0
[M]+ 312.18323142 159.7
[M]- 312.18432858 159.7
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

patents stripe