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
2
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]+ 411.20784 201.5
[M+Na]+ 433.18978 206.1
[M-H]- 409.19328 205.8
[M+NH4]+ 428.23438 212.6
[M+K]+ 449.16372 200.9
[M+H-H2O]+ 393.19782 190.8
[M+HCOO]- 455.19876 220.9
[M+CH3COO]- 469.21441 227.1
[M+Na-2H]- 431.17523 200.6
[M]+ 410.20001 205.2
[M]- 410.20111 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