CID 3048763

1-urea-5,6,7,8-tetrahydrocarbazole

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1CCC2=C(C1)C3=C(N2)C(=CC=C3)NC(=O)N
InChI
InChI=1S/C13H15N3O/c14-13(17)16-11-7-3-5-9-8-4-1-2-6-10(8)15-12(9)11/h3,5,7,15H,1-2,4,6H2,(H3,14,16,17)
InChIKey
NNKZDSOFOBWHNV-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-carbazol-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 149.5
[M+Na]+ 252.11072 160.0
[M+NH4]+ 247.15532 158.0
[M+K]+ 268.08466 155.7
[M-H]- 228.11422 152.1
[M+Na-2H]- 250.09617 153.9
[M]+ 229.12095 151.4
[M]- 229.12205 151.4
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

No patent data available for this compound.