CID 3067387

Brn 6012744

Structural Information

Molecular Formula
C23H32N4O2
SMILES
CC(C)NC(=O)N(C(C)C)C(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
InChI=1S/C23H32N4O2/c1-13(2)25-23(29)27(14(3)4)22(28)16-9-18-17-7-6-8-19-21(17)15(11-24-19)10-20(18)26(5)12-16/h6-8,11,13-14,16,18,20,24H,9-10,12H2,1-5H3,(H,25,29)/t16-,18?,20-/m1/s1
InChIKey
IDZYIMDAPAFQJX-OPZSGVPXSA-N
Compound name
(6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.25253 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25981 198.2
[M+Na]+ 419.24175 200.6
[M-H]- 395.24525 199.7
[M+NH4]+ 414.28635 210.8
[M+K]+ 435.21569 197.1
[M+H-H2O]+ 379.24979 189.8
[M+HCOO]- 441.25073 208.6
[M+CH3COO]- 455.26638 233.6
[M+Na-2H]- 417.22720 195.8
[M]+ 396.25198 196.8
[M]- 396.25308 196.8
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.