CID 899992

1h-indole, 2-(4-morpholinylmethyl)-5-nitro-3-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C19H19N3O3
SMILES
C1COCCN1CC2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C19H19N3O3/c23-22(24)15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)18(20-17)13-21-8-10-25-11-9-21/h1-7,12,20H,8-11,13H2
InChIKey
ASZPMZXHOOPUJD-UHFFFAOYSA-N
Compound name
4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.14264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.149916 176.9
[M+Na]+ 360.131858 181.6
[M-H]- 336.135364 183.9
[M+NH4]+ 355.176463 186.7
[M+K]+ 376.105798 172.6
[M+H-H2O]+ 320.139900 171.0
[M+HCOO]- 382.140841 194.4
[M+CH3COO]- 396.156491 201.5
[M+Na-2H]- 358.117306 182.6
[M]+ 337.14209142 172.5
[M]- 337.14318858 172.5
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.