CID 453391

136817-84-0

Structural Information

Molecular Formula
C21H24FN5O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)F
InChI
InChI=1S/C21H24FN5O/c1-14(2)24-17-4-3-7-23-20(17)26-8-10-27(11-9-26)21(28)19-12-15-5-6-16(22)13-18(15)25-19/h3-7,12-14,24-25H,8-11H2,1-2H3
InChIKey
KOPAYFJVMRIEBO-UHFFFAOYSA-N
Compound name
(6-fluoro-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.1965 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20378 191.9
[M+Na]+ 404.18572 197.9
[M-H]- 380.18922 194.6
[M+NH4]+ 399.23032 199.5
[M+K]+ 420.15966 190.3
[M+H-H2O]+ 364.19376 179.4
[M+HCOO]- 426.19470 204.2
[M+CH3COO]- 440.21035 198.9
[M+Na-2H]- 402.17117 191.3
[M]+ 381.19595 187.1
[M]- 381.19705 187.1
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

No patent data available for this compound.