CID 18582372

1-(1-ethyl-1h-indol-3-yl)-3-methylurea

Structural Information

Molecular Formula
C12H15N3O
SMILES
CCN1C=C(C2=CC=CC=C21)NC(=O)NC
InChI
InChI=1S/C12H15N3O/c1-3-15-8-10(14-12(16)13-2)9-6-4-5-7-11(9)15/h4-8H,3H2,1-2H3,(H2,13,14,16)
InChIKey
VYNJFCZJNXAEGJ-UHFFFAOYSA-N
Compound name
1-(1-ethylindol-3-yl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.4
[M+Na]+ 240.110718 156.1
[M-H]- 216.114224 151.4
[M+NH4]+ 235.155323 167.4
[M+K]+ 256.084658 152.9
[M+H-H2O]+ 200.118760 140.4
[M+HCOO]- 262.119701 173.3
[M+CH3COO]- 276.135351 192.9
[M+Na-2H]- 238.096166 154.0
[M]+ 217.12095142 149.2
[M]- 217.12204858 149.2
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.