CID 135407172

2-propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2h-indol-2-ylidene)methyl)-3-(4-morpholinyl)-

Structural Information

Molecular Formula
C16H16N4O2
SMILES
C1COCCN1C(=N)/C(=C/C2=C(C3=CC=CC=C3N2)O)/C#N
InChI
InChI=1S/C16H16N4O2/c17-10-11(16(18)20-5-7-22-8-6-20)9-14-15(21)12-3-1-2-4-13(12)19-14/h1-4,9,18-19,21H,5-8H2/b11-9+,18-16?
InChIKey
QQQRQGZRKJSEPL-YJSIWIKZSA-N
Compound name
(E)-3-(3-hydroxy-1H-indol-2-yl)-2-(morpholine-4-carboximidoyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.12732 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 172.5
[M+Na]+ 319.11654 180.0
[M-H]- 295.12004 173.1
[M+NH4]+ 314.16114 182.7
[M+K]+ 335.09048 173.1
[M+H-H2O]+ 279.12458 157.1
[M+HCOO]- 341.12552 183.8
[M+CH3COO]- 355.14117 179.7
[M+Na-2H]- 317.10199 173.6
[M]+ 296.12677 162.0
[M]- 296.12787 162.0
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.