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]+ 415.222756 200.3
[M+Na]+ 437.204698 207.5
[M-H]- 413.208204 202.2
[M+NH4]+ 432.249303 219.8
[M+K]+ 453.178638 197.3
[M+H-H2O]+ 397.212740 195.8
[M+HCOO]- 459.213681 207.3
[M+CH3COO]- 473.229331 216.3
[M+Na-2H]- 435.190146 203.2
[M]+ 414.21493142 201.7
[M]- 414.21602858 201.7
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.