CID 129597835

5f-mdmb-pica

Structural Information

Molecular Formula
C21H29FN2O3
SMILES
CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKey
CHSUEEBESACQDV-GOSISDBHSA-N
Compound name
methyl (2S)-2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

23
Patents

376.21622 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22350 192.1
[M+Na]+ 399.20544 199.9
[M+NH4]+ 394.25004 196.3
[M+K]+ 415.17938 196.8
[M-H]- 375.20894 190.1
[M+Na-2H]- 397.19089 193.6
[M]+ 376.21567 192.2
[M]- 376.21677 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe