CID 6482707

Schembl4993234

Structural Information

Molecular Formula
C23H27N5O2
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)CN)OC
InChI
InChI=1S/C23H27N5O2/c1-29-21-8-7-19(13-22(21)30-2)27-9-11-28(12-10-27)23-16-25-15-20(26-23)18-5-3-17(14-24)4-6-18/h3-8,13,15-16H,9-12,14,24H2,1-2H3
InChIKey
CUTBHLQYXVHXNN-UHFFFAOYSA-N
Compound name
[4-[6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

405.21646 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.22374 203.1
[M+Na]+ 428.20568 208.4
[M-H]- 404.20918 209.1
[M+NH4]+ 423.25028 206.7
[M+K]+ 444.17962 201.3
[M+H-H2O]+ 388.21372 188.6
[M+HCOO]- 450.21466 217.4
[M+CH3COO]- 464.23031 209.6
[M+Na-2H]- 426.19113 204.1
[M]+ 405.21591 200.2
[M]- 405.21701 200.2
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