CID 135545740

Imidazole-4-carboxamide, 5-(3,3-dipropyl-1-triazeno)-, monohydrochloride

Structural Information

Molecular Formula
C10H18N6O
SMILES
CCCN(CCC)/N=N/C1=C(NC=N1)C(=O)N
InChI
InChI=1S/C10H18N6O/c1-3-5-16(6-4-2)15-14-10-8(9(11)17)12-7-13-10/h7H,3-6H2,1-2H3,(H2,11,17)(H,12,13)/b15-14+
InChIKey
JVXLFEGFUVRHFF-CCEZHUSRSA-N
Compound name
4-[(E)-(dipropylamino)diazenyl]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.1542 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16148 154.1
[M+Na]+ 261.14342 159.2
[M-H]- 237.14692 157.4
[M+NH4]+ 256.18802 170.6
[M+K]+ 277.11736 158.9
[M+H-H2O]+ 221.15146 144.5
[M+HCOO]- 283.15240 181.6
[M+CH3COO]- 297.16805 206.8
[M+Na-2H]- 259.12887 158.1
[M]+ 238.15365 154.9
[M]- 238.15475 154.9
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.