CID 16228778

926190-25-2

Structural Information

Molecular Formula
C17H17N3
SMILES
C1=CC=C(C(=C1)CN)C2=CC=C(C=C2)CN3C=CC=N3
InChI
InChI=1S/C17H17N3/c18-12-16-4-1-2-5-17(16)15-8-6-14(7-9-15)13-20-11-3-10-19-20/h1-11H,12-13,18H2
InChIKey
FAHVNDHVCZSKTN-UHFFFAOYSA-N
Compound name
[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.149516 160.9
[M+Na]+ 286.131458 168.6
[M-H]- 262.134964 167.7
[M+NH4]+ 281.176063 175.8
[M+K]+ 302.105398 162.5
[M+H-H2O]+ 246.139500 151.0
[M+HCOO]- 308.140441 184.3
[M+CH3COO]- 322.156091 172.5
[M+Na-2H]- 284.116906 165.3
[M]+ 263.14169142 159.4
[M]- 263.14278858 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.