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

1
Patents

231.11201 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11929 151.1
[M+Na]+ 254.10123 160.0
[M+NH4]+ 249.14583 156.9
[M+K]+ 270.07517 157.6
[M-H]- 230.10473 153.5
[M+Na-2H]- 252.08668 156.9
[M]+ 231.11146 152.4
[M]- 231.11256 152.4
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