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 213.5
[M+Na]+ 377.18356 211.2
[M-H]- 353.18706 212.2
[M+NH4]+ 372.22816 212.2
[M+K]+ 393.15750 211.5
[M+H-H2O]+ 337.19160 208.3
[M+HCOO]- 399.19254 212.4
[M+CH3COO]- 413.20819 212.6
[M+Na-2H]- 375.16901 212.8
[M]+ 354.19379 212.3
[M]- 354.19489 212.3
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