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 192.9
[M+Na]+ 397.22100 196.2
[M-H]- 373.22450 194.5
[M+NH4]+ 392.26560 205.0
[M+K]+ 413.19494 193.2
[M+H-H2O]+ 357.22904 185.0
[M+HCOO]- 419.22998 212.4
[M+CH3COO]- 433.24563 224.9
[M+Na-2H]- 395.20645 194.4
[M]+ 374.23123 195.1
[M]- 374.23233 195.1
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

No patent data available for this compound.