CID 3061021

78534-19-7

Structural Information

Molecular Formula
C10H13N3
SMILES
C1C(CN=C(N1)N)C2=CC=CC=C2
InChI
InChI=1S/C10H13N3/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)
InChIKey
BOTTZUQJTYCKHU-UHFFFAOYSA-N
Compound name
5-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

175.11095 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 138.4
[M+Na]+ 198.10017 144.5
[M-H]- 174.10367 140.1
[M+NH4]+ 193.14477 154.3
[M+K]+ 214.07411 140.1
[M+H-H2O]+ 158.10821 130.1
[M+HCOO]- 220.10915 157.5
[M+CH3COO]- 234.12480 149.7
[M+Na-2H]- 196.08562 145.0
[M]+ 175.11040 131.1
[M]- 175.11150 131.1
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.