CID 131752803

(+/-)-pandamarine

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CC1=C/C(=C\CCCN2CCCCC23C=C(C(=O)N3)C)/NC1=O
InChI
InChI=1S/C18H25N3O2/c1-13-11-15(19-16(13)22)7-3-5-9-21-10-6-4-8-18(21)12-14(2)17(23)20-18/h7,11-12H,3-6,8-10H2,1-2H3,(H,19,22)(H,20,23)/b15-7+
InChIKey
YMXRBZVJOJYAFJ-VIZOYTHASA-N
Compound name
3-methyl-6-[(4E)-4-(4-methyl-5-oxopyrrol-2-ylidene)butyl]-1,6-diazaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19467 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 179.9
[M+Na]+ 338.18389 188.3
[M+NH4]+ 333.22849 186.5
[M+K]+ 354.15783 184.1
[M-H]- 314.18739 180.2
[M+Na-2H]- 336.16934 182.6
[M]+ 315.19412 180.8
[M]- 315.19522 180.8
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

No patent data available for this compound.