CID 509082

2-(p-tolyl)-5-(pyrrolidine-1-carbonyl)-1h-imidazole-4-diazonium

Structural Information

Molecular Formula
C15H16N5O
SMILES
CC1=CC=C(C=C1)C2=NC(=C(N2)C(=O)N3CCCC3)[N+]#N
InChI
InChI=1S/C15H15N5O/c1-10-4-6-11(7-5-10)13-17-12(14(18-13)19-16)15(21)20-8-2-3-9-20/h4-7H,2-3,8-9H2,1H3/p+1
InChIKey
HQOJQVUHBUTYHY-UHFFFAOYSA-O
Compound name
2-(4-methylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.1355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14278 167.7
[M+Na]+ 305.12472 175.9
[M-H]- 281.12822 171.6
[M+NH4]+ 300.16932 179.8
[M+K]+ 321.09866 165.4
[M+H-H2O]+ 265.13276 152.8
[M+HCOO]- 327.13370 183.7
[M+CH3COO]- 341.14935 204.6
[M+Na-2H]- 303.11017 169.2
[M]+ 282.13495 158.6
[M]- 282.13605 158.6
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.