CID 132222

2-((n-(1-(1h-imidazol-4-yl)-2-propyl)imino)phenylmethyl)phenol

Structural Information

Molecular Formula
C19H19N3O
SMILES
CC(CC1=CN=CN1)N=C(C2=CC=CC=C2)C3=CC=CC=C3O
InChI
InChI=1S/C19H19N3O/c1-14(11-16-12-20-13-21-16)22-19(15-7-3-2-4-8-15)17-9-5-6-10-18(17)23/h2-10,12-14,23H,11H2,1H3,(H,20,21)
InChIKey
SBUFZXRNKJQHLD-UHFFFAOYSA-N
Compound name
2-[N-[1-(1H-imidazol-5-yl)propan-2-yl]-C-phenylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

4
Patents

305.1528 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16008 174.2
[M+Na]+ 328.14202 187.0
[M+NH4]+ 323.18662 181.3
[M+K]+ 344.11596 181.5
[M-H]- 304.14552 179.0
[M+Na-2H]- 326.12747 183.6
[M]+ 305.15225 177.3
[M]- 305.15335 177.3
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

patents stripe