CID 6482905

Schembl4992244

Structural Information

Molecular Formula
C23H26N4O3
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC=C4CO)OC
InChI
InChI=1S/C23H26N4O3/c1-29-21-8-7-18(13-22(21)30-2)26-9-11-27(12-10-26)23-15-24-14-20(25-23)19-6-4-3-5-17(19)16-28/h3-8,13-15,28H,9-12,16H2,1-2H3
InChIKey
ORMRPKQUQKENFE-UHFFFAOYSA-N
Compound name
[2-[6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

406.2005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 202.5
[M+Na]+ 429.18972 208.0
[M-H]- 405.19322 207.7
[M+NH4]+ 424.23432 205.9
[M+K]+ 445.16366 201.2
[M+H-H2O]+ 389.19776 188.2
[M+HCOO]- 451.19870 215.0
[M+CH3COO]- 465.21435 208.9
[M+Na-2H]- 427.17517 203.4
[M]+ 406.19995 200.7
[M]- 406.20105 200.7
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.