CID 131750991

Dehydrocarpaine i

Structural Information

Molecular Formula
C28H48N2O4
SMILES
CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)N=C3C
InChI
InChI=1S/C28H48N2O4/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/h21,23-26,29H,3-20H2,1-2H3
InChIKey
KGQYREIAHMZYSA-UHFFFAOYSA-N
Compound name
13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacont-12-ene-3,16-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

476.36142 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.36870 219.8
[M+Na]+ 499.35064 221.9
[M+NH4]+ 494.39524 224.8
[M+K]+ 515.32458 214.8
[M-H]- 475.35414 212.0
[M+Na-2H]- 497.33609 200.0
[M]+ 476.36087 217.0
[M]- 476.36197 217.0
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