CID 3087280

2-morpholineacetonitrile, 6-(1h-indol-4-yl)-4-methyl-, cis-(+-)-, (e)-2-butenedioate

Structural Information

Molecular Formula
C15H17N3O
SMILES
CN1C[C@H](O[C@H](C1)C2=C3C=CNC3=CC=C2)CC#N
InChI
InChI=1S/C15H17N3O/c1-18-9-11(5-7-16)19-15(10-18)13-3-2-4-14-12(13)6-8-17-14/h2-4,6,8,11,15,17H,5,9-10H2,1H3/t11-,15-/m1/s1
InChIKey
GVLXQNXBOQBHAT-IAQYHMDHSA-N
Compound name
2-[(2R,6S)-6-(1H-indol-4-yl)-4-methylmorpholin-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.144436 157.5
[M+Na]+ 278.126378 167.7
[M-H]- 254.129884 159.7
[M+NH4]+ 273.170983 170.8
[M+K]+ 294.100318 161.0
[M+H-H2O]+ 238.134420 142.3
[M+HCOO]- 300.135361 171.0
[M+CH3COO]- 314.151011 167.1
[M+Na-2H]- 276.111826 160.7
[M]+ 255.13661142 150.7
[M]- 255.13770858 150.7
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.