CID 2200

Antazoline

Structural Information

Molecular Formula
C17H19N3
SMILES
C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKey
REYFJDPCWQRWAA-UHFFFAOYSA-N
Compound name
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

262
References

13890
Patents

265.1579 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 161.1
[M+Na]+ 288.14712 165.4
[M-H]- 264.15062 167.2
[M+NH4]+ 283.19172 175.2
[M+K]+ 304.12106 160.5
[M+H-H2O]+ 248.15516 150.6
[M+HCOO]- 310.15610 182.6
[M+CH3COO]- 324.17175 171.5
[M+Na-2H]- 286.13257 165.8
[M]+ 265.15735 157.6
[M]- 265.15845 157.6
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

No patent data available for this compound.