CID 6482958

Schembl4995171

Structural Information

Molecular Formula
C23H26N4O
SMILES
CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)CO)C
InChI
InChI=1S/C23H26N4O/c1-17-3-8-22(18(2)13-17)26-9-11-27(12-10-26)23-15-24-14-21(25-23)20-6-4-19(16-28)5-7-20/h3-8,13-15,28H,9-12,16H2,1-2H3
InChIKey
KZPHEADMYIRVDY-UHFFFAOYSA-N
Compound name
[4-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.21066 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21794 197.2
[M+Na]+ 397.19988 203.3
[M-H]- 373.20338 202.4
[M+NH4]+ 392.24448 202.2
[M+K]+ 413.17382 194.9
[M+H-H2O]+ 357.20792 183.4
[M+HCOO]- 419.20886 209.5
[M+CH3COO]- 433.22451 204.1
[M+Na-2H]- 395.18533 197.9
[M]+ 374.21011 192.8
[M]- 374.21121 192.8
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.