CID 164207

125670-69-1

Structural Information

Molecular Formula
C30H37N2O8
SMILES
CC1(CC(CC(N1[O])(C)C)N[C@@H]2[C@@H]3COC(=O)[C@H]3[C@H](C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)C
InChI
InChI=1S/C30H37N2O8/c1-29(2)11-16(12-30(3,4)32(29)35)31-26-18-10-21-20(39-14-40-21)9-17(18)24(25-19(26)13-38-28(25)34)15-7-22(36-5)27(33)23(8-15)37-6/h7-10,16,19,24-26,31,33H,11-14H2,1-6H3/t19-,24+,25-,26+/m1/s1
InChIKey
MNYFRPDQBQTHSV-IWRQBJDLSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

553.255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.26228 230.4
[M+Na]+ 576.24422 237.1
[M-H]- 552.24772 241.8
[M+NH4]+ 571.28882 239.3
[M+K]+ 592.21816 237.4
[M+H-H2O]+ 536.25226 223.3
[M+HCOO]- 598.25320 236.9
[M+CH3COO]- 612.26885 237.4
[M+Na-2H]- 574.22967 226.8
[M]+ 553.25445 236.1
[M]- 553.25555 236.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.