CID 6447

Protoverine hydrochloride

Structural Information

Molecular Formula
C27H43NO9
SMILES
C[C@H]1CC[C@H]2[C@@](C3[C@H]([C@@H]([C@@]4(C(C3CN2C1)C[C@@]56C4[C@@H]([C@@H](C7[C@@]5(CC[C@@H]([C@]7(O6)O)O)C)O)O)O)O)O)(C)O
InChI
InChI=1S/C27H43NO9/c1-11-4-5-14-24(3,34)16-12(10-28(14)9-11)13-8-25-21(26(13,35)22(33)17(16)30)19(32)18(31)20-23(25,2)7-6-15(29)27(20,36)37-25/h11-22,29-36H,4-10H2,1-3H3/t11-,12?,13?,14-,15-,16?,17+,18-,19+,20?,21?,22-,23-,24+,25+,26-,27+/m0/s1
InChIKey
CKJAABZFXLMMCS-YMSZYTFPSA-N
Compound name
(6S,9S,10S,12R,13S,14S,16S,17R,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,17,22,23-octol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

525.29376 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.30104 241.0
[M+Na]+ 548.28298 243.6
[M-H]- 524.28648 234.0
[M+NH4]+ 543.32758 240.6
[M+K]+ 564.25692 244.1
[M+H-H2O]+ 508.29102 219.5
[M+HCOO]- 570.29196 242.5
[M+CH3COO]- 584.30761 246.4
[M+Na-2H]- 546.26843 249.6
[M]+ 525.29321 238.3
[M]- 525.29431 238.3
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

No patent data available for this compound.