CID 10874382

2-hydroxy-imipramine glucuronide

Structural Information

Molecular Formula
C25H32N2O7
SMILES
CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C25H32N2O7/c1-26(2)12-5-13-27-18-7-4-3-6-15(18)8-9-16-14-17(10-11-19(16)27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h3-4,6-7,10-11,14,20-23,25,28-30H,5,8-9,12-13H2,1-2H3,(H,31,32)/t20-,21-,22+,23-,25+/m0/s1
InChIKey
CBEJFHYWZSCYSD-LYVDORBWSA-N
Compound name
(2S,3S,4S,5R,6S)-6-[[11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

472.22095 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22823 214.9
[M+Na]+ 495.21017 222.2
[M+NH4]+ 490.25477 218.0
[M+K]+ 511.18411 219.6
[M-H]- 471.21367 217.1
[M+Na-2H]- 493.19562 214.0
[M]+ 472.22040 216.2
[M]- 472.22150 216.2
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.