CID 200494

Brn 0704153

Structural Information

Molecular Formula
C20H27N3O
SMILES
CCC(=O)NC[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C20H27N3O/c1-4-19(24)21-10-13-8-16-15-6-5-7-17-20(15)14(12-23(17)3)9-18(16)22(2)11-13/h5-7,12-13,16,18H,4,8-11H2,1-3H3,(H,21,24)/t13-,16?,18+/m0/s1
InChIKey
ZYYMXDCJUUXDOG-HDUJFRAXSA-N
Compound name
N-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.222696 181.1
[M+Na]+ 348.204638 187.9
[M-H]- 324.208144 183.3
[M+NH4]+ 343.249243 197.7
[M+K]+ 364.178578 182.1
[M+H-H2O]+ 308.212680 172.4
[M+HCOO]- 370.213621 195.2
[M+CH3COO]- 384.229271 190.3
[M+Na-2H]- 346.190086 182.6
[M]+ 325.21487142 181.4
[M]- 325.21596858 181.4
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.