CID 453399

153473-57-5

Structural Information

Molecular Formula
C22H27N5O
SMILES
CCC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C22H27N5O/c1-3-16(2)24-19-9-6-10-23-21(19)26-11-13-27(14-12-26)22(28)20-15-17-7-4-5-8-18(17)25-20/h4-10,15-16,24-25H,3,11-14H2,1-2H3
InChIKey
FNOGUIRRCQITHA-UHFFFAOYSA-N
Compound name
[4-[3-(butan-2-ylamino)pyridin-2-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.22156 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 192.2
[M+Na]+ 400.21078 196.7
[M-H]- 376.21428 195.7
[M+NH4]+ 395.25538 199.7
[M+K]+ 416.18472 189.5
[M+H-H2O]+ 360.21882 180.3
[M+HCOO]- 422.21976 205.3
[M+CH3COO]- 436.23541 199.1
[M+Na-2H]- 398.19623 192.6
[M]+ 377.22101 188.3
[M]- 377.22211 188.3
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.