CID 16228777

926237-60-7

Structural Information

Molecular Formula
C17H17N3
SMILES
C1=CC=C(C(=C1)CN)C2=CC=C(C=C2)CN3C=CN=C3
InChI
InChI=1S/C17H17N3/c18-11-16-3-1-2-4-17(16)15-7-5-14(6-8-15)12-20-10-9-19-13-20/h1-10,13H,11-12,18H2
InChIKey
XPAVXOWMUTZOFW-UHFFFAOYSA-N
Compound name
[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 160.9
[M+Na]+ 286.13146 168.6
[M-H]- 262.13496 167.7
[M+NH4]+ 281.17606 175.8
[M+K]+ 302.10540 162.5
[M+H-H2O]+ 246.13950 151.0
[M+HCOO]- 308.14044 184.3
[M+CH3COO]- 322.15609 172.5
[M+Na-2H]- 284.11691 165.3
[M]+ 263.14169 159.4
[M]- 263.14279 159.4
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

No patent data available for this compound.