CID 6482710

Schembl4995513

Structural Information

Molecular Formula
C21H29N5O
SMILES
C1CCN(C1)CCN2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC(=C4)CO
InChI
InChI=1S/C21H29N5O/c27-17-18-4-3-5-19(14-18)20-15-22-16-21(23-20)26-12-10-25(11-13-26)9-8-24-6-1-2-7-24/h3-5,14-16,27H,1-2,6-13,17H2
InChIKey
RHZQCKCCGXWKOZ-UHFFFAOYSA-N
Compound name
[3-[6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

367.2372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.24448 192.2
[M+Na]+ 390.22642 195.1
[M-H]- 366.22992 195.2
[M+NH4]+ 385.27102 197.4
[M+K]+ 406.20036 187.9
[M+H-H2O]+ 350.23446 178.1
[M+HCOO]- 412.23540 202.0
[M+CH3COO]- 426.25105 197.8
[M+Na-2H]- 388.21187 190.2
[M]+ 367.23665 185.1
[M]- 367.23775 185.1
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

patents stripe