CID 16459866

896653-33-1

Structural Information

Molecular Formula
C16H19N5
SMILES
CC1=CC(=NC(=N1)NC(=NC2CC3=CC=CC=C3C2)N)C
InChI
InChI=1S/C16H19N5/c1-10-7-11(2)19-16(18-10)21-15(17)20-14-8-12-5-3-4-6-13(12)9-14/h3-7,14H,8-9H2,1-2H3,(H3,17,18,19,20,21)
InChIKey
QIHMMRVYVSHFEK-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16403 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17131 165.5
[M+Na]+ 304.15325 172.3
[M-H]- 280.15675 171.6
[M+NH4]+ 299.19785 181.2
[M+K]+ 320.12719 167.6
[M+H-H2O]+ 264.16129 155.9
[M+HCOO]- 326.16223 189.0
[M+CH3COO]- 340.17788 176.6
[M+Na-2H]- 302.13870 169.8
[M]+ 281.16348 163.1
[M]- 281.16458 163.1
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.