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 211.6
[M+Na]+ 499.35064 193.9
[M-H]- 475.35414 182.6
[M+NH4]+ 494.39524 210.9
[M+K]+ 515.32458 197.9
[M+H-H2O]+ 459.35868 207.7
[M+HCOO]- 521.35962 187.0
[M+CH3COO]- 535.37527 200.3
[M+Na-2H]- 497.33609 207.6
[M]+ 476.36087 197.3
[M]- 476.36197 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