CID 124518655

Ur-144 degradant

Structural Information

Molecular Formula
C21H29NO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC(C)(C)C(=C)C
InChI
InChI=1S/C21H29NO/c1-6-7-10-13-22-15-18(17-11-8-9-12-19(17)22)20(23)14-21(4,5)16(2)3/h8-9,11-12,15H,2,6-7,10,13-14H2,1,3-5H3
InChIKey
NBJHWTCAQOYUND-UHFFFAOYSA-N
Compound name
3,3,4-trimethyl-1-(1-pentylindol-3-yl)pent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 180.8
[M+Na]+ 334.214118 187.6
[M-H]- 310.217624 183.6
[M+NH4]+ 329.258723 197.5
[M+K]+ 350.188058 182.6
[M+H-H2O]+ 294.222160 173.8
[M+HCOO]- 356.223101 199.0
[M+CH3COO]- 370.238751 211.7
[M+Na-2H]- 332.199566 181.1
[M]+ 311.22435142 185.5
[M]- 311.22544858 185.5
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.