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]+ 338.14992 176.9
[M+Na]+ 360.13186 181.6
[M-H]- 336.13536 183.9
[M+NH4]+ 355.17646 186.7
[M+K]+ 376.10580 172.6
[M+H-H2O]+ 320.13990 171.0
[M+HCOO]- 382.14084 194.4
[M+CH3COO]- 396.15649 201.5
[M+Na-2H]- 358.11731 182.6
[M]+ 337.14209 172.5
[M]- 337.14319 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.