CID 379722

Nsc664697

Structural Information

Molecular Formula
C15H17N5O2
SMILES
C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC(=O)N
InChI
InChI=1S/C15H17N5O2/c16-14(22)19-15-17-7-5-13(21)20(15)8-6-10-9-18-12-4-2-1-3-11(10)12/h1-4,9,18H,5-8H2,(H3,16,17,19,22)
InChIKey
KUXXPJZAMXKXFX-UHFFFAOYSA-N
Compound name
[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1382 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14548 167.9
[M+Na]+ 322.12742 175.1
[M-H]- 298.13092 170.2
[M+NH4]+ 317.17202 180.2
[M+K]+ 338.10136 169.4
[M+H-H2O]+ 282.13546 158.4
[M+HCOO]- 344.13640 186.9
[M+CH3COO]- 358.15205 177.6
[M+Na-2H]- 320.11287 171.5
[M]+ 299.13765 164.8
[M]- 299.13875 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

No patent data available for this compound.