CID 375244

Nsc654633

Structural Information

Molecular Formula
C15H15N5O
SMILES
C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC#N
InChI
InChI=1S/C15H15N5O/c16-10-19-15-17-7-5-14(21)20(15)8-6-11-9-18-13-4-2-1-3-12(11)13/h1-4,9,18H,5-8H2,(H,17,19)
InChIKey
NFLMVSDFAHZXKI-UHFFFAOYSA-N
Compound name
[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12766 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 164.9
[M+Na]+ 304.11688 174.6
[M-H]- 280.12038 165.2
[M+NH4]+ 299.16148 176.5
[M+K]+ 320.09082 166.8
[M+H-H2O]+ 264.12492 148.4
[M+HCOO]- 326.12586 180.1
[M+CH3COO]- 340.14151 173.3
[M+Na-2H]- 302.10233 168.7
[M]+ 281.12711 157.7
[M]- 281.12821 157.7
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.