CID 136448550

1253404-90-8

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
1
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 157.4
[M+Na]+ 266.12638 169.1
[M+NH4]+ 261.17098 164.6
[M+K]+ 282.10032 164.1
[M-H]- 242.12988 160.1
[M+Na-2H]- 264.11183 164.8
[M]+ 243.13661 159.6
[M]- 243.13771 159.6
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