CID 129597845

1850409-16-3

Structural Information

Molecular Formula
C23H22N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=NN(C4=CC=CC=C43)CCCCCO
InChI
InChI=1S/C23H22N2O2/c26-16-7-1-6-15-25-21-14-5-4-12-20(21)22(24-25)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14,26H,1,6-7,15-16H2
InChIKey
YBDCPWAZXZXQGE-UHFFFAOYSA-N
Compound name
[1-(5-hydroxypentyl)indazol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16812 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.175396 187.9
[M+Na]+ 381.157338 196.0
[M-H]- 357.160844 192.5
[M+NH4]+ 376.201943 200.7
[M+K]+ 397.131278 188.6
[M+H-H2O]+ 341.165380 177.9
[M+HCOO]- 403.166321 206.1
[M+CH3COO]- 417.181971 197.5
[M+Na-2H]- 379.142786 191.3
[M]+ 358.16757142 191.3
[M]- 358.16866858 191.3
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

No patent data available for this compound.