CID 146395245

Ezm0414

Structural Information

Molecular Formula
C22H29FN4O2
SMILES
CC1=C2C(=C(C=C1)F)C=C(N2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C
InChI
InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)18-13-20(25-21(14)18)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1
InChIKey
PGNLXEBQMQHFNK-SJORKVTESA-N
Compound name
N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

400.22745 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.23473 198.7
[M+Na]+ 423.21667 207.8
[M+NH4]+ 418.26127 203.6
[M+K]+ 439.19061 203.8
[M-H]- 399.22017 200.6
[M+Na-2H]- 421.20212 201.3
[M]+ 400.22690 200.0
[M]- 400.22800 200.0
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