CID 177841680

Sage-324

Structural Information

Molecular Formula
C24H38N4O3
SMILES
CC1=NN(N=N1)CC(=O)[C@@H]2CC[C@H]3[C@]2(CC[C@@H]4[C@@H]3CC[C@H]5[C@H]4CC[C@](C5)(COC)O)C
InChI
InChI=1S/C24H38N4O3/c1-15-25-27-28(26-15)13-22(29)21-7-6-20-19-5-4-16-12-24(30,14-31-3)11-9-17(16)18(19)8-10-23(20,21)2/h16-21,30H,4-14H2,1-3H3/t16-,17-,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey
QILSKKMYIGWGLH-ZYANIKMUSA-N
Compound name
1-[(3S,5R,8S,9S,10R,13R,14R,17R)-3-hydroxy-3-(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(5-methyltetrazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2944 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.30168 209.6
[M+Na]+ 453.28362 213.0
[M-H]- 429.28712 210.2
[M+NH4]+ 448.32822 223.0
[M+K]+ 469.25756 207.4
[M+H-H2O]+ 413.29166 199.0
[M+HCOO]- 475.29260 212.3
[M+CH3COO]- 489.30825 214.3
[M+Na-2H]- 451.26907 203.7
[M]+ 430.29385 204.1
[M]- 430.29495 204.1
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.