CID 6914613

(1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine

Structural Information

Molecular Formula
C23H22N4O
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](COC3=CN=CC(=C3)/C=C/C4=CC=NC=C4)N
InChI
InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1
InChIKey
SGHXFHRRWFLILP-XJDXJNMNSA-N
Compound name
(2S)-1-(1H-indol-3-yl)-3-[5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]oxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

370.17935 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18663 188.9
[M+Na]+ 393.16857 195.4
[M-H]- 369.17207 193.7
[M+NH4]+ 388.21317 197.8
[M+K]+ 409.14251 186.8
[M+H-H2O]+ 353.17661 177.4
[M+HCOO]- 415.17755 207.6
[M+CH3COO]- 429.19320 197.2
[M+Na-2H]- 391.15402 192.6
[M]+ 370.17880 188.1
[M]- 370.17990 188.1
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