CID 99050

50504-27-3

Structural Information

Molecular Formula
C20H27N3O
SMILES
CCCCNC(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
InChI=1S/C20H27N3O/c1-3-4-8-21-20(24)14-9-16-15-6-5-7-17-19(15)13(11-22-17)10-18(16)23(2)12-14/h5-7,11,14,16,18,22H,3-4,8-10,12H2,1-2H3,(H,21,24)
InChIKey
YWYWNPNJIAXPHW-UHFFFAOYSA-N
Compound name
N-butyl-7-methyl-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

325.21542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 179.9
[M+Na]+ 348.20464 185.5
[M-H]- 324.20814 180.4
[M+NH4]+ 343.24924 195.6
[M+K]+ 364.17858 178.9
[M+H-H2O]+ 308.21268 171.3
[M+HCOO]- 370.21362 192.6
[M+CH3COO]- 384.22927 188.2
[M+Na-2H]- 346.19009 181.9
[M]+ 325.21487 178.2
[M]- 325.21597 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.