CID 486044

N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-4-[(5s,10s,13r,17r)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanamide

Structural Information

Molecular Formula
C30H56N4O
SMILES
CC(CCC(=O)NCCNCCNCCN)[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CCCC4)C)C
InChI
InChI=1S/C30H56N4O/c1-22(7-12-28(35)34-21-20-33-19-18-32-17-16-31)25-10-11-26-24-9-8-23-6-4-5-14-29(23,2)27(24)13-15-30(25,26)3/h22-27,32-33H,4-21,31H2,1-3H3,(H,34,35)/t22?,23-,24?,25+,26?,27?,29-,30+/m0/s1
InChIKey
FPZWFBAUISHHOD-ABWYQMSESA-N
Compound name
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-4-[(5S,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.4454 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.45268 218.6
[M+Na]+ 511.43462 213.8
[M-H]- 487.43812 218.4
[M+NH4]+ 506.47922 232.3
[M+K]+ 527.40856 208.2
[M+H-H2O]+ 471.44266 210.6
[M+HCOO]- 533.44360 225.6
[M+CH3COO]- 547.45925 254.2
[M+Na-2H]- 509.42007 214.5
[M]+ 488.44485 208.6
[M]- 488.44595 208.6
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.