CID 6481816

Schembl6005065

Structural Information

Molecular Formula
C19H20N4O
SMILES
CC(=O)NC1=CC=C(C=C1)CNC2=CC=CC(=C2)CN3C=CN=C3
InChI
InChI=1S/C19H20N4O/c1-15(24)22-18-7-5-16(6-8-18)12-21-19-4-2-3-17(11-19)13-23-10-9-20-14-23/h2-11,14,21H,12-13H2,1H3,(H,22,24)
InChIKey
YXWRKVOHJVXRFZ-UHFFFAOYSA-N
Compound name
N-[4-[[3-(imidazol-1-ylmethyl)anilino]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

320.1637 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 175.3
[M+Na]+ 343.15292 180.9
[M-H]- 319.15642 182.4
[M+NH4]+ 338.19752 187.4
[M+K]+ 359.12686 175.3
[M+H-H2O]+ 303.16096 164.5
[M+HCOO]- 365.16190 198.9
[M+CH3COO]- 379.17755 185.5
[M+Na-2H]- 341.13837 179.2
[M]+ 320.16315 174.7
[M]- 320.16425 174.7
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