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]+ 321.170976 176.0
[M+Na]+ 343.152918 182.6
[M-H]- 319.156424 181.3
[M+NH4]+ 338.197523 185.6
[M+K]+ 359.126858 175.0
[M+H-H2O]+ 303.160960 165.2
[M+HCOO]- 365.161901 197.6
[M+CH3COO]- 379.177551 185.4
[M+Na-2H]- 341.138366 181.6
[M]+ 320.16315142 172.9
[M]- 320.16424858 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.