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]+ 297.134596 172.5
[M+Na]+ 319.116538 180.0
[M-H]- 295.120044 173.1
[M+NH4]+ 314.161143 182.7
[M+K]+ 335.090478 173.1
[M+H-H2O]+ 279.124580 157.1
[M+HCOO]- 341.125521 183.8
[M+CH3COO]- 355.141171 179.7
[M+Na-2H]- 317.101986 173.6
[M]+ 296.12677142 162.0
[M]- 296.12786858 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.