CID 206879

Brn 1141793

Structural Information

Molecular Formula
C15H16N2O4
SMILES
COC1=CC2=C(C=C1)NC(=C2C=O)C(=O)N3CCOCC3
InChI
InChI=1S/C15H16N2O4/c1-20-10-2-3-13-11(8-10)12(9-18)14(16-13)15(19)17-4-6-21-7-5-17/h2-3,8-9,16H,4-7H2,1H3
InChIKey
KZQCXZPDMPVGKQ-UHFFFAOYSA-N
Compound name
5-methoxy-2-(morpholine-4-carbonyl)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.111 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 164.2
[M+Na]+ 311.10022 171.9
[M-H]- 287.10372 168.5
[M+NH4]+ 306.14482 177.7
[M+K]+ 327.07416 169.1
[M+H-H2O]+ 271.10826 155.9
[M+HCOO]- 333.10920 180.9
[M+CH3COO]- 347.12485 196.8
[M+Na-2H]- 309.08567 166.9
[M]+ 288.11045 164.8
[M]- 288.11155 164.8
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

patents stripe