CID 5748293

Cyprodime

Structural Information

Molecular Formula
C22H29NO3
SMILES
COC1=CC=CC2=C1[C@]34CCN([C@H](C2)[C@@]3(CCC(=O)C4)OC)CC5CC5
InChI
InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
InChIKey
INUCRGMCKDQKNA-CEMLEFRQSA-N
Compound name
(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

53
References

731
Patents

355.21475 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 192.4
[M+Na]+ 378.20397 199.0
[M-H]- 354.20747 198.9
[M+NH4]+ 373.24857 205.1
[M+K]+ 394.17791 195.2
[M+H-H2O]+ 338.21201 182.6
[M+HCOO]- 400.21295 202.3
[M+CH3COO]- 414.22860 200.3
[M+Na-2H]- 376.18942 194.8
[M]+ 355.21420 192.5
[M]- 355.21530 192.5
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

patents stripe