CID 47003166

4-phenyl-1h-imidazole-1,5-diamine

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC=C(C=C1)C2=C(N(C=N2)N)N
InChI
InChI=1S/C9H10N4/c10-9-8(12-6-13(9)11)7-4-2-1-3-5-7/h1-6H,10-11H2
InChIKey
TWDBUHTUNHGSRG-UHFFFAOYSA-N
Compound name
4-phenylimidazole-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.09055 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.097826 134.8
[M+Na]+ 197.079768 143.8
[M-H]- 173.083274 138.9
[M+NH4]+ 192.124373 153.3
[M+K]+ 213.053708 140.1
[M+H-H2O]+ 157.087810 126.7
[M+HCOO]- 219.088751 160.0
[M+CH3COO]- 233.104401 148.2
[M+Na-2H]- 195.065216 140.6
[M]+ 174.09000142 131.5
[M]- 174.09109858 131.5
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.