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

literature stripe

Patent stripe

patents stripe