CID 489451

1-[7-bromo-6-methoxyindolyl-2-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C22H26BrN5O2
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C(=C(C=C4)OC)Br
InChI
InChI=1S/C22H26BrN5O2/c1-14(2)25-16-5-4-8-24-21(16)27-9-11-28(12-10-27)22(29)17-13-15-6-7-18(30-3)19(23)20(15)26-17/h4-8,13-14,25-26H,9-12H2,1-3H3
InChIKey
OJZOOGNKMGZLRA-UHFFFAOYSA-N
Compound name
(7-bromo-6-methoxy-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

0
Patents

471.12698 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.13426 204.2
[M+Na]+ 494.11620 212.3
[M-H]- 470.11970 210.8
[M+NH4]+ 489.16080 212.6
[M+K]+ 510.09014 199.1
[M+H-H2O]+ 454.12424 199.9
[M+HCOO]- 516.12518 215.5
[M+CH3COO]- 530.14083 212.7
[M+Na-2H]- 492.10165 204.3
[M]+ 471.12643 221.0
[M]- 471.12753 221.0
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.