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

29
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 198.4
[M+Na]+ 423.21667 201.9
[M-H]- 399.22017 201.3
[M+NH4]+ 418.26127 206.5
[M+K]+ 439.19061 195.3
[M+H-H2O]+ 383.22471 186.8
[M+HCOO]- 445.22565 207.7
[M+CH3COO]- 459.24130 204.3
[M+Na-2H]- 421.20212 193.5
[M]+ 400.22690 190.1
[M]- 400.22800 190.1
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

No patent data available for this compound.