CID 3074850

2-hydroxy-3-(1h-imidazol-4-ylmethyl)-n-(1-methylethyl)benzenecarboximidamide hydrate

Structural Information

Molecular Formula
C14H18N4O
SMILES
CC(C)N=C(C1=CC=CC(=C1O)CC2=CN=CN2)N
InChI
InChI=1S/C14H18N4O/c1-9(2)18-14(15)12-5-3-4-10(13(12)19)6-11-7-16-8-17-11/h3-5,7-9,19H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKey
QOUDMYPZWDOWNS-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

258.14807 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15535 161.0
[M+Na]+ 281.13729 166.9
[M-H]- 257.14079 163.7
[M+NH4]+ 276.18189 175.4
[M+K]+ 297.11123 162.7
[M+H-H2O]+ 241.14533 152.3
[M+HCOO]- 303.14627 182.0
[M+CH3COO]- 317.16192 198.8
[M+Na-2H]- 279.12274 162.4
[M]+ 258.14752 157.9
[M]- 258.14862 157.9
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