CID 19371515

Alcaftadine

Structural Information

Molecular Formula
C19H21N3O
SMILES
CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)CC1
InChI
InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3
InChIKey
MWTBKTRZPHJQLH-UHFFFAOYSA-N
Compound name
11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

25
References

833
Patents

307.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 175.7
[M+Na]+ 330.15768 182.4
[M-H]- 306.16118 180.8
[M+NH4]+ 325.20228 189.4
[M+K]+ 346.13162 178.9
[M+H-H2O]+ 290.16572 165.8
[M+HCOO]- 352.16666 189.3
[M+CH3COO]- 366.18231 184.7
[M+Na-2H]- 328.14313 176.4
[M]+ 307.16791 169.2
[M]- 307.16901 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe