CID 372683

Nsc648216

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC(=C)CC(C)(C1=CC2=CC=CC=C2N1C)N3CCOCC3
InChI
InChI=1S/C19H26N2O/c1-15(2)14-19(3,21-9-11-22-12-10-21)18-13-16-7-5-6-8-17(16)20(18)4/h5-8,13H,1,9-12,14H2,2-4H3
InChIKey
UMMWOXQAHOJZNA-UHFFFAOYSA-N
Compound name
4-[4-methyl-2-(1-methylindol-2-yl)pent-4-en-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 174.5
[M+Na]+ 321.19372 180.6
[M-H]- 297.19722 179.3
[M+NH4]+ 316.23832 188.4
[M+K]+ 337.16766 176.9
[M+H-H2O]+ 281.20176 166.0
[M+HCOO]- 343.20270 189.0
[M+CH3COO]- 357.21835 205.3
[M+Na-2H]- 319.17917 176.8
[M]+ 298.20395 173.9
[M]- 298.20505 173.9
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.