CID 462952

Chembl151565

Structural Information

Molecular Formula
C23H29N5O
SMILES
CC(C)NC1=C(N=CC=C1)N(C)C2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C23H29N5O/c1-16(2)25-20-9-6-12-24-22(20)27(3)18-10-13-28(14-11-18)23(29)21-15-17-7-4-5-8-19(17)26-21/h4-9,12,15-16,18,25-26H,10-11,13-14H2,1-3H3
InChIKey
MHQJAWRJJKMFDP-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

391.2372 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.24448 194.6
[M+Na]+ 414.22642 197.8
[M-H]- 390.22992 200.6
[M+NH4]+ 409.27102 203.2
[M+K]+ 430.20036 192.3
[M+H-H2O]+ 374.23446 183.0
[M+HCOO]- 436.23540 210.3
[M+CH3COO]- 450.25105 201.8
[M+Na-2H]- 412.21187 194.7
[M]+ 391.23665 191.1
[M]- 391.23775 191.1
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.