CID 157010663

4f-mdmb-butica

Structural Information

Molecular Formula
C20H27FN2O3
SMILES
CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCCF
InChI
InChI=1S/C20H27FN2O3/c1-20(2,3)17(19(25)26-4)22-18(24)15-13-23(12-8-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,7-8,11-12H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKey
QIKHYQCWGUGFBB-QGZVFWFLSA-N
Compound name
methyl (2S)-2-[[1-(4-fluorobutyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

362.20056 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.207836 189.8
[M+Na]+ 385.189778 195.6
[M-H]- 361.193284 191.5
[M+NH4]+ 380.234383 203.8
[M+K]+ 401.163718 192.4
[M+H-H2O]+ 345.197820 181.5
[M+HCOO]- 407.198761 207.7
[M+CH3COO]- 421.214411 219.2
[M+Na-2H]- 383.175226 189.7
[M]+ 362.20001142 194.2
[M]- 362.20110858 194.2
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