CID 11314340

A-674563

Structural Information

Molecular Formula
C22H22N4O
SMILES
CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CC=CC=C4)N
InChI
InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
InChIKey
BPNUQXPIQBZCMR-IBGZPJMESA-N
Compound name
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

575
Patents

358.17935 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18663 186.1
[M+Na]+ 381.16857 193.7
[M-H]- 357.17207 191.5
[M+NH4]+ 376.21317 195.8
[M+K]+ 397.14251 185.8
[M+H-H2O]+ 341.17661 174.9
[M+HCOO]- 403.17755 205.0
[M+CH3COO]- 417.19320 195.1
[M+Na-2H]- 379.15402 189.6
[M]+ 358.17880 186.2
[M]- 358.17990 186.2
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.