CID 462956

Bdbm1949

Structural Information

Molecular Formula
C25H31N5O
SMILES
CC(C)NC1=C(N=CC=C1)N(C2CC2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C25H31N5O/c1-17(2)27-22-8-5-13-26-24(22)30(19-9-10-19)20-11-14-29(15-12-20)25(31)23-16-18-6-3-4-7-21(18)28-23/h3-8,13,16-17,19-20,27-28H,9-12,14-15H2,1-2H3
InChIKey
FYFDKVGQAJSRPL-UHFFFAOYSA-N
Compound name
[4-[cyclopropyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]piperidin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.25287 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.26015 198.5
[M+Na]+ 440.24209 202.8
[M-H]- 416.24559 207.2
[M+NH4]+ 435.28669 201.5
[M+K]+ 456.21603 195.7
[M+H-H2O]+ 400.25013 187.9
[M+HCOO]- 462.25107 214.5
[M+CH3COO]- 476.26672 205.0
[M+Na-2H]- 438.22754 198.0
[M]+ 417.25232 196.8
[M]- 417.25342 196.8
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.