CID 6914614

(1s)-1-(1h-indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine

Structural Information

Molecular Formula
C24H21N5O
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](COC3=C4C=CC(=NC4=CN=C3)C5=CC=NC=C5)N
InChI
InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1
InChIKey
DQIXTEDFNFZMCM-SFHVURJKSA-N
Compound name
(2S)-1-(1H-indol-3-yl)-3-[(2-pyridin-4-yl-1,7-naphthyridin-5-yl)oxy]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

395.17462 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18190 193.1
[M+Na]+ 418.16384 200.8
[M-H]- 394.16734 197.9
[M+NH4]+ 413.20844 200.5
[M+K]+ 434.13778 191.8
[M+H-H2O]+ 378.17188 180.7
[M+HCOO]- 440.17282 209.3
[M+CH3COO]- 454.18847 200.9
[M+Na-2H]- 416.14929 198.6
[M]+ 395.17407 193.0
[M]- 395.17517 193.0
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.