CID 9570639

Daeam

Structural Information

Molecular Formula
C24H40N2O2
SMILES
C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N/OC)CC=C4[C@@]3(CCC(C4)OCCN(C)C)C
InChI
InChI=1S/C24H40N2O2/c1-23-12-10-18(28-15-14-26(3)4)16-17(23)6-7-19-20-8-9-22(25-27-5)24(20,2)13-11-21(19)23/h6,18-21H,7-16H2,1-5H3/b25-22-/t18?,19-,20-,21-,23-,24-/m0/s1
InChIKey
CXQGUEILDLJPNP-WUCUOXKPSA-N
Compound name
2-[[(8R,9S,10R,13S,14S,17Z)-17-methoxyimino-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.309 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.31628 196.2
[M+Na]+ 411.29822 198.4
[M-H]- 387.30172 201.8
[M+NH4]+ 406.34282 216.8
[M+K]+ 427.27216 194.8
[M+H-H2O]+ 371.30626 188.0
[M+HCOO]- 433.30720 209.4
[M+CH3COO]- 447.32285 233.5
[M+Na-2H]- 409.28367 195.9
[M]+ 388.30845 193.5
[M]- 388.30955 193.5
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.