CID 18452655

475086-75-0

Structural Information

Molecular Formula
C23H27N3O
SMILES
CC(C)N(CCCCO)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H27N3O/c1-18(2)26(15-9-10-16-27)21-17-24-22(19-11-5-3-6-12-19)23(25-21)20-13-7-4-8-14-20/h3-8,11-14,17-18,27H,9-10,15-16H2,1-2H3
InChIKey
PKBSUZWFQXNCSI-UHFFFAOYSA-N
Compound name
4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

361.21542 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 190.7
[M+Na]+ 384.20464 194.7
[M-H]- 360.20814 196.7
[M+NH4]+ 379.24924 199.3
[M+K]+ 400.17858 189.1
[M+H-H2O]+ 344.21268 178.8
[M+HCOO]- 406.21362 209.6
[M+CH3COO]- 420.22927 220.8
[M+Na-2H]- 382.19009 193.3
[M]+ 361.21487 191.2
[M]- 361.21597 191.2
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