CID 641595

Pandanamine

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC1=C/C(=C/CCCNCCC/C=C/2\OC(=O)C(=C2)C)/OC1=O
InChI
InChI=1S/C18H23NO4/c1-13-11-15(22-17(13)20)7-3-5-9-19-10-6-4-8-16-12-14(2)18(21)23-16/h7-8,11-12,19H,3-6,9-10H2,1-2H3/b15-7-,16-8-
InChIKey
UFHQEIRNGIAWOB-DUGOVBPYSA-N
Compound name
(5Z)-3-methyl-5-[4-[[(4Z)-4-(4-methyl-5-oxofuran-2-ylidene)butyl]amino]butylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

317.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 177.9
[M+Na]+ 340.15194 184.4
[M-H]- 316.15544 185.6
[M+NH4]+ 335.19654 193.3
[M+K]+ 356.12588 181.7
[M+H-H2O]+ 300.15998 172.2
[M+HCOO]- 362.16092 200.1
[M+CH3COO]- 376.17657 208.6
[M+Na-2H]- 338.13739 176.8
[M]+ 317.16217 181.9
[M]- 317.16327 181.9
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.