CID 384619

Nsc674632

Structural Information

Molecular Formula
C12H15N3O
SMILES
CNC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H15N3O/c1-13-12(16)14-7-6-9-8-15-11-5-3-2-4-10(9)11/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)
InChIKey
NQCSLFFSTSOWRP-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.1215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.0
[M+Na]+ 240.11072 154.4
[M-H]- 216.11422 149.2
[M+NH4]+ 235.15532 166.0
[M+K]+ 256.08466 150.3
[M+H-H2O]+ 200.11876 140.0
[M+HCOO]- 262.11970 171.5
[M+CH3COO]- 276.13535 189.3
[M+Na-2H]- 238.09617 153.9
[M]+ 217.12095 146.6
[M]- 217.12205 146.6
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.