CID 136448550

Phenol, 2-(1-((3-(1h-imidazol-1-yl)propyl)imino)ethyl)-

Structural Information

Molecular Formula
C14H17N3O
SMILES
CC(=NCCCN1C=CN=C1)C2=CC=CC=C2O
InChI
InChI=1S/C14H17N3O/c1-12(13-5-2-3-6-14(13)18)16-7-4-9-17-10-8-15-11-17/h2-3,5-6,8,10-11,18H,4,7,9H2,1H3
InChIKey
BGTHDSHMCWHVSX-UHFFFAOYSA-N
Compound name
2-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

243.13716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 156.4
[M+Na]+ 266.12638 163.0
[M-H]- 242.12988 160.4
[M+NH4]+ 261.17098 172.5
[M+K]+ 282.10032 159.4
[M+H-H2O]+ 226.13442 147.3
[M+HCOO]- 288.13536 179.5
[M+CH3COO]- 302.15101 194.6
[M+Na-2H]- 264.11183 160.5
[M]+ 243.13661 157.0
[M]- 243.13771 157.0
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