CID 489434

[4-[3-(cyclopropylamino)pyrazin-2-yl]piperazin-1-yl]-(1h-indol-2-yl)methanone

Structural Information

Molecular Formula
C20H22N6O
SMILES
C1CC1NC2=NC=CN=C2N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C20H22N6O/c27-20(17-13-14-3-1-2-4-16(14)24-17)26-11-9-25(10-12-26)19-18(21-7-8-22-19)23-15-5-6-15/h1-4,7-8,13,15,24H,5-6,9-12H2,(H,21,23)
InChIKey
HKJCXEWWDWOYIP-UHFFFAOYSA-N
Compound name
[4-[3-(cyclopropylamino)pyrazin-2-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.18552 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19280 193.6
[M+Na]+ 385.17474 201.4
[M-H]- 361.17824 199.1
[M+NH4]+ 380.21934 195.9
[M+K]+ 401.14868 192.1
[M+H-H2O]+ 345.18278 182.0
[M+HCOO]- 407.18372 208.0
[M+CH3COO]- 421.19937 200.3
[M+Na-2H]- 383.16019 195.2
[M]+ 362.18497 190.9
[M]- 362.18607 190.9
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.