CID 6482708

Schembl4997197

Structural Information

Molecular Formula
C23H23N5O
SMILES
C1CN(CCN1C2=CC=CC3=C2C=CN3)C4=NC(=CN=C4)C5=CC=C(C=C5)CO
InChI
InChI=1S/C23H23N5O/c29-16-17-4-6-18(7-5-17)21-14-24-15-23(26-21)28-12-10-27(11-13-28)22-3-1-2-20-19(22)8-9-25-20/h1-9,14-15,25,29H,10-13,16H2
InChIKey
DQMXDEKJVYHUCA-UHFFFAOYSA-N
Compound name
[4-[6-[4-(1H-indol-4-yl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

385.19025 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19753 194.1
[M+Na]+ 408.17947 201.0
[M-H]- 384.18297 198.3
[M+NH4]+ 403.22407 199.1
[M+K]+ 424.15341 191.1
[M+H-H2O]+ 368.18751 180.6
[M+HCOO]- 430.18845 205.5
[M+CH3COO]- 444.20410 200.7
[M+Na-2H]- 406.16492 195.9
[M]+ 385.18970 189.2
[M]- 385.19080 189.2
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

No patent data available for this compound.