CID 135454055

Mls002694009

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)CCCNC3=CC=CC=C3
InChI
InChI=1S/C19H20N4O/c20-19-22-17(14-8-3-1-4-9-14)16(18(24)23-19)12-7-13-21-15-10-5-2-6-11-15/h1-6,8-11,21H,7,12-13H2,(H3,20,22,23,24)
InChIKey
SCRJBOTXSNZXCG-UHFFFAOYSA-N
Compound name
2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

320.1637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 176.0
[M+Na]+ 343.15292 182.6
[M-H]- 319.15642 181.3
[M+NH4]+ 338.19752 185.6
[M+K]+ 359.12686 175.0
[M+H-H2O]+ 303.16096 165.2
[M+HCOO]- 365.16190 197.6
[M+CH3COO]- 379.17755 185.4
[M+Na-2H]- 341.13837 181.6
[M]+ 320.16315 172.9
[M]- 320.16425 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.