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

5
Patents

243.13716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.144436 156.4
[M+Na]+ 266.126378 163.0
[M-H]- 242.129884 160.4
[M+NH4]+ 261.170983 172.5
[M+K]+ 282.100318 159.4
[M+H-H2O]+ 226.134420 147.3
[M+HCOO]- 288.135361 179.5
[M+CH3COO]- 302.151011 194.6
[M+Na-2H]- 264.111826 160.5
[M]+ 243.13661142 157.0
[M]- 243.13770858 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