CID 46937040

(2s)-1-{[5-(1h-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7as)-7ah-indol-3-yl]propan-2-amine

Structural Information

Molecular Formula
C23H21N5O
SMILES
C1=C[C@@H]2C(=C(C=N2)C[C@@H](COC3=CN=CC(=C3)C4=CC5=C(C=C4)NN=C5)N)C=C1
InChI
InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,23H,8,14,24H2,(H,27,28)/t19-,23+/m0/s1
InChIKey
CAASENZOSQYNPX-WMZHIEFXSA-N
Compound name
(2S)-1-[(7aR)-7aH-indol-3-yl]-3-[5-(1H-indazol-5-yl)pyridin-3-yl]oxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17462 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18190 188.2
[M+Na]+ 406.16384 196.2
[M-H]- 382.16734 193.9
[M+NH4]+ 401.20844 198.2
[M+K]+ 422.13778 188.1
[M+H-H2O]+ 366.17188 177.1
[M+HCOO]- 428.17282 206.0
[M+CH3COO]- 442.18847 197.0
[M+Na-2H]- 404.14929 190.9
[M]+ 383.17407 189.0
[M]- 383.17517 189.0
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.