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]+ 477.368696 211.6
[M+Na]+ 499.350638 193.9
[M-H]- 475.354144 182.6
[M+NH4]+ 494.395243 210.9
[M+K]+ 515.324578 197.9
[M+H-H2O]+ 459.358680 207.7
[M+HCOO]- 521.359621 187.0
[M+CH3COO]- 535.375271 200.3
[M+Na-2H]- 497.336086 207.6
[M]+ 476.36087142 197.3
[M]- 476.36196858 197.3
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