CID 489632

[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]-(5-phenyl-1h-pyrrol-2-yl)methanone

Structural Information

Molecular Formula
C23H27N5O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(N3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N5O/c1-17(2)25-20-9-6-12-24-22(20)27-13-15-28(16-14-27)23(29)21-11-10-19(26-21)18-7-4-3-5-8-18/h3-12,17,25-26H,13-16H2,1-2H3
InChIKey
JSYVMPXMBMJHLW-UHFFFAOYSA-N
Compound name
(5-phenyl-1H-pyrrol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.22156 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.22884 195.0
[M+Na]+ 412.21078 198.0
[M-H]- 388.21428 200.4
[M+NH4]+ 407.25538 200.5
[M+K]+ 428.18472 190.8
[M+H-H2O]+ 372.21882 182.2
[M+HCOO]- 434.21976 207.9
[M+CH3COO]- 448.23541 201.3
[M+Na-2H]- 410.19623 193.4
[M]+ 389.22101 188.6
[M]- 389.22211 188.6
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.