CID 131668062

1616253-26-9

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 189.9
[M+Na]+ 385.18978 194.9
[M-H]- 361.19328 191.2
[M+NH4]+ 380.23438 203.6
[M+K]+ 401.16372 191.7
[M+H-H2O]+ 345.19782 180.9
[M+HCOO]- 407.19876 208.4
[M+CH3COO]- 421.21441 220.4
[M+Na-2H]- 383.17523 187.6
[M]+ 362.20001 194.3
[M]- 362.20111 194.3
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.