CID 137321820

69125-70-8

Structural Information

Molecular Formula
C12H14N4O
SMILES
CCC1(C(=NC(=N)NC1=O)N)C2=CC=CC=C2
InChI
InChI=1S/C12H14N4O/c1-2-12(8-6-4-3-5-7-8)9(13)15-11(14)16-10(12)17/h3-7H,2H2,1H3,(H4,13,14,15,16,17)
InChIKey
ZKPNDYQXPJGNCR-UHFFFAOYSA-N
Compound name
6-amino-5-ethyl-2-imino-5-phenylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 152.3
[M+Na]+ 253.10598 160.1
[M-H]- 229.10948 154.9
[M+NH4]+ 248.15058 168.1
[M+K]+ 269.07992 155.0
[M+H-H2O]+ 213.11402 144.4
[M+HCOO]- 275.11496 172.4
[M+CH3COO]- 289.13061 192.4
[M+Na-2H]- 251.09143 157.9
[M]+ 230.11621 146.2
[M]- 230.11731 146.2
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.