CID 3070024

85607-53-0

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C1CN(C(C(=O)N1)C2=CNC3=CC=CC=C32)C=O
InChI
InChI=1S/C13H13N3O2/c17-8-16-6-5-14-13(18)12(16)10-7-15-11-4-2-1-3-9(10)11/h1-4,7-8,12,15H,5-6H2,(H,14,18)
InChIKey
GYGWAOJAJVHFKT-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-3-oxopiperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.10077 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 154.5
[M+Na]+ 266.08999 163.2
[M-H]- 242.09349 155.7
[M+NH4]+ 261.13459 169.2
[M+K]+ 282.06393 157.0
[M+H-H2O]+ 226.09803 146.0
[M+HCOO]- 288.09897 170.7
[M+CH3COO]- 302.11462 165.2
[M+Na-2H]- 264.07544 158.2
[M]+ 243.10022 150.4
[M]- 243.10132 150.4
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