CID 489454

1-[6-(n,n-dimethylamino)indolyl-2-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C23H30N6O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)N(C)C
InChI
InChI=1S/C23H30N6O/c1-16(2)25-19-6-5-9-24-22(19)28-10-12-29(13-11-28)23(30)21-14-17-7-8-18(27(3)4)15-20(17)26-21/h5-9,14-16,25-26H,10-13H2,1-4H3
InChIKey
QZEJPCSCPBACCZ-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-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

0
References

2
Patents

406.2481 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.25538 199.7
[M+Na]+ 429.23732 203.9
[M-H]- 405.24082 204.9
[M+NH4]+ 424.28192 206.6
[M+K]+ 445.21126 198.0
[M+H-H2O]+ 389.24536 187.7
[M+HCOO]- 451.24630 214.0
[M+CH3COO]- 465.26195 206.5
[M+Na-2H]- 427.22277 199.2
[M]+ 406.24755 197.2
[M]- 406.24865 197.2
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

patents stripe