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 200.3
[M+Na]+ 437.20470 207.5
[M-H]- 413.20820 202.2
[M+NH4]+ 432.24930 219.8
[M+K]+ 453.17864 197.3
[M+H-H2O]+ 397.21274 195.8
[M+HCOO]- 459.21368 207.3
[M+CH3COO]- 473.22933 216.3
[M+Na-2H]- 435.19015 203.2
[M]+ 414.21493 201.7
[M]- 414.21603 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.