CID 6444200

Unii-7rbx39d6ab

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C/C=C/1\CN2CCC1C(C3=C(CC2)C4=CC=CC=C4N3C)C(=O)OCO
InChI
InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-15(14)19(21(25)26-13-24)20-17(9-11-23)16-6-4-5-7-18(16)22(20)2/h3-7,15,19,24H,8-13H2,1-2H3/b14-3+
InChIKey
FGSIDBXUJJPJAJ-LZWSPWQCSA-N
Compound name
hydroxymethyl (16Z)-16-ethylidene-4-methyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 172.6
[M+Na]+ 377.18356 172.6
[M+NH4]+ 372.22816 172.6
[M+K]+ 393.15750 172.4
[M-H]- 353.18706 172.6
[M+Na-2H]- 375.16901 172.4
[M]+ 354.19379 172.6
[M]- 354.19489 172.6
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.