CID 6483697

Schembl4993291

Structural Information

Molecular Formula
C20H21N5O2
SMILES
C1CN(CCN1C2=NC(=CN=C2)C3=CC=C(C=C3)CN)C(=O)C4=CC=CO4
InChI
InChI=1S/C20H21N5O2/c21-12-15-3-5-16(6-4-15)17-13-22-14-19(23-17)24-7-9-25(10-8-24)20(26)18-2-1-11-27-18/h1-6,11,13-14H,7-10,12,21H2
InChIKey
VMYWTEDYHUFGSH-UHFFFAOYSA-N
Compound name
[4-[6-[4-(aminomethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

363.16953 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 187.3
[M+Na]+ 386.15875 192.4
[M-H]- 362.16225 194.5
[M+NH4]+ 381.20335 192.9
[M+K]+ 402.13269 187.3
[M+H-H2O]+ 346.16679 174.4
[M+HCOO]- 408.16773 202.1
[M+CH3COO]- 422.18338 195.1
[M+Na-2H]- 384.14420 187.6
[M]+ 363.16898 183.1
[M]- 363.17008 183.1
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