CID 3047438

Kurchine dihydrochloride

Structural Information

Molecular Formula
C23H38N2
SMILES
C[C@H]1[C@H]2CC[C@@H]3C2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)NC)C)CN1C
InChI
InChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h5,15,17-21,24H,6-14H2,1-4H3/t15-,17-,18+,19+,20-,21-,22-,23?/m0/s1
InChIKey
UBWOPONWVXRTKE-PKEBAOTNSA-N
Compound name
(1R,2S,5S,6S,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3035 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.31078 188.4
[M+Na]+ 365.29272 192.3
[M-H]- 341.29622 192.4
[M+NH4]+ 360.33732 211.3
[M+K]+ 381.26666 185.1
[M+H-H2O]+ 325.30076 180.1
[M+HCOO]- 387.30170 196.7
[M+CH3COO]- 401.31735 196.0
[M+Na-2H]- 363.27817 184.8
[M]+ 342.30295 179.9
[M]- 342.30405 179.9
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.