CID 3072992

145296-57-7

Structural Information

Molecular Formula
C20H30N4O3
SMILES
CC(=NNC(=O)CC1=CNC2=C1C(=CC=C2)OCC(CNC(C)(C)C)O)C
InChI
InChI=1S/C20H30N4O3/c1-13(2)23-24-18(26)9-14-10-21-16-7-6-8-17(19(14)16)27-12-15(25)11-22-20(3,4)5/h6-8,10,15,21-22,25H,9,11-12H2,1-5H3,(H,24,26)
InChIKey
ISSNVTYNIXRNQJ-UHFFFAOYSA-N
Compound name
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]-N-(propan-2-ylideneamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

374.23178 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.23906 191.7
[M+Na]+ 397.22100 197.4
[M+NH4]+ 392.26560 195.4
[M+K]+ 413.19494 195.9
[M-H]- 373.22450 191.2
[M+Na-2H]- 395.20645 193.0
[M]+ 374.23123 191.7
[M]- 374.23233 191.7
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

No patent data available for this compound.