CID 165412024

5f-mphp-pica

Structural Information

Molecular Formula
C24H27FN2O3
SMILES
COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CN(C3=CC=CC=C32)CCCCCF
InChI
InChI=1S/C24H27FN2O3/c1-30-24(29)21(16-18-10-4-2-5-11-18)26-23(28)20-17-27(15-9-3-8-14-25)22-13-7-6-12-19(20)22/h2,4-7,10-13,17,21H,3,8-9,14-16H2,1H3,(H,26,28)
InChIKey
GZGBNOYVLYYYCZ-UHFFFAOYSA-N
Compound name
methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

410.20056 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.207836 201.5
[M+Na]+ 433.189778 206.1
[M-H]- 409.193284 205.8
[M+NH4]+ 428.234383 212.6
[M+K]+ 449.163718 200.9
[M+H-H2O]+ 393.197820 190.8
[M+HCOO]- 455.198761 220.9
[M+CH3COO]- 469.214411 227.1
[M+Na-2H]- 431.175226 200.6
[M]+ 410.20001142 205.2
[M]- 410.20110858 205.2
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

patents stripe