CID 5272785

Schembl9803996

Structural Information

Molecular Formula
C25H26N2O
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)CCCCCCOC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C25H26N2O/c1(4-14-24-17-18-26-27(24)23-12-5-3-6-13-23)2-9-19-28-25-16-15-21-10-7-8-11-22(21)20-25/h3,5-8,10-13,15-18,20H,1-2,4,9,14,19H2
InChIKey
YNVIDAUYBXXUAY-UHFFFAOYSA-N
Compound name
5-(6-naphthalen-2-yloxyhexyl)-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.2045 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21178 192.6
[M+Na]+ 393.19372 199.5
[M-H]- 369.19722 199.8
[M+NH4]+ 388.23832 204.1
[M+K]+ 409.16766 191.7
[M+H-H2O]+ 353.20176 180.8
[M+HCOO]- 415.20270 213.6
[M+CH3COO]- 429.21835 202.0
[M+Na-2H]- 391.17917 196.3
[M]+ 370.20395 196.3
[M]- 370.20505 196.3
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