CID 131668062

I-amb

Structural Information

Molecular Formula
C20H27FN2O3
SMILES
CC(C)C(C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)
InChIKey
JFXASAFVUQVGEW-UHFFFAOYSA-N
Compound name
methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.20056 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20784 188.0
[M+Na]+ 385.18978 195.9
[M+NH4]+ 380.23438 192.4
[M+K]+ 401.16372 192.7
[M-H]- 361.19328 186.4
[M+Na-2H]- 383.17523 189.3
[M]+ 362.20001 188.2
[M]- 362.20111 188.2
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.