CID 131750992

Dehydrocarpaine ii

Structural Information

Molecular Formula
C28H46N2O4
SMILES
CC1=NC2CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)OC1CC2)N=C3C
InChI
InChI=1S/C28H46N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h23-26H,3-20H2,1-2H3
InChIKey
OEDAQCLCHGASNH-UHFFFAOYSA-N
Compound name
13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triaconta-12,25-diene-3,16-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

474.34576 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.35304 209.9
[M+Na]+ 497.33498 192.9
[M-H]- 473.33848 182.1
[M+NH4]+ 492.37958 209.7
[M+K]+ 513.30892 197.3
[M+H-H2O]+ 457.34302 205.6
[M+HCOO]- 519.34396 187.3
[M+CH3COO]- 533.35961 199.4
[M+Na-2H]- 495.32043 206.8
[M]+ 474.34521 197.5
[M]- 474.34631 197.5
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

patents stripe