CID 135801665

2-hydroxy-3-(1h-imidazol-4-ylmethyl)benzenecarboximidic acid hydrazide hemihydrate

Structural Information

Molecular Formula
C11H13N5O
SMILES
C1=CC(=C(C(=C1)/C(=N\N)/N)O)CC2=CN=CN2
InChI
InChI=1S/C11H13N5O/c12-11(16-13)9-3-1-2-7(10(9)17)4-8-5-14-6-15-8/h1-3,5-6,17H,4,13H2,(H2,12,16)(H,14,15)
InChIKey
VQLNHBPYTFTJLW-UHFFFAOYSA-N
Compound name
N'-amino-2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11201 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.119286 149.6
[M+Na]+ 254.101228 156.3
[M-H]- 230.104734 152.3
[M+NH4]+ 249.145833 164.5
[M+K]+ 270.075168 151.9
[M+H-H2O]+ 214.109270 140.9
[M+HCOO]- 276.110211 173.0
[M+CH3COO]- 290.125861 193.7
[M+Na-2H]- 252.086676 153.4
[M]+ 231.11146142 144.4
[M]- 231.11255858 144.4
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

patents stripe