CID 294336

Nsc162407

Structural Information

Molecular Formula
C22H38N2
SMILES
CC(C)C1=CC2=CCC3C(CCCC3(C2CC1CCN)C)(C)CN
InChI
InChI=1S/C22H38N2/c1-15(2)18-12-17-6-7-20-21(3,14-24)9-5-10-22(20,4)19(17)13-16(18)8-11-23/h6,12,15-16,19-20H,5,7-11,13-14,23-24H2,1-4H3
InChIKey
NMPPZQLCNJPHMH-UHFFFAOYSA-N
Compound name
2-[8-(aminomethyl)-4b,8-dimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.31078 185.4
[M+Na]+ 353.29272 188.8
[M-H]- 329.29622 187.7
[M+NH4]+ 348.33732 204.6
[M+K]+ 369.26666 183.6
[M+H-H2O]+ 313.30076 178.6
[M+HCOO]- 375.30170 197.3
[M+CH3COO]- 389.31735 220.7
[M+Na-2H]- 351.27817 184.7
[M]+ 330.30295 178.2
[M]- 330.30405 178.2
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.