CID 157010140

Structural Information

Molecular Formula
C23H30N2O5
SMILES
CCC12C=CC[N+]3C1C4(CC3)C(C(C2O)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
InChI
InChI=1S/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/q+1
InChIKey
UGWNULLIAGYONC-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.21548 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22276 195.1
[M+Na]+ 437.20470 205.3
[M+NH4]+ 432.24930 206.8
[M+K]+ 453.17864 199.1
[M-H]- 413.20820 196.2
[M+Na-2H]- 435.19015 197.4
[M]+ 414.21493 197.4
[M]- 414.21603 197.4
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.