CID 29518

19236-78-3

Structural Information

Molecular Formula
C20H34N2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N)CC=C4[C@@]3(CC[C@@H](C4)NC)C
InChI
InChI=1S/C20H34N2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,14-18,22H,5-12,21H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKey
IQPGPZYJBABJMD-RBZZARIASA-N
Compound name
(3S,8R,9S,10R,13S,14S,17S)-3-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2722 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.27948 174.4
[M+Na]+ 325.26142 178.3
[M-H]- 301.26492 177.9
[M+NH4]+ 320.30602 197.5
[M+K]+ 341.23536 172.2
[M+H-H2O]+ 285.26946 167.6
[M+HCOO]- 347.27040 186.2
[M+CH3COO]- 361.28605 183.1
[M+Na-2H]- 323.24687 175.2
[M]+ 302.27165 164.7
[M]- 302.27275 164.7
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.