CID 208912

Elanzepine

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CCN(CC)CC=C1C2=C(C=C(C=C2)Cl)NC3=CC=CC=C31
InChI
InChI=1S/C19H21ClN2/c1-3-22(4-2)12-11-15-16-7-5-6-8-18(16)21-19-13-14(20)9-10-17(15)19/h5-11,13,21H,3-4,12H2,1-2H3
InChIKey
RHKBAJPBFPEGRH-UHFFFAOYSA-N
Compound name
2-(3-chloro-10H-acridin-9-ylidene)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.1393 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.146576 174.4
[M+Na]+ 335.128518 182.0
[M-H]- 311.132024 177.4
[M+NH4]+ 330.173123 190.6
[M+K]+ 351.102458 174.3
[M+H-H2O]+ 295.136560 166.6
[M+HCOO]- 357.137501 188.0
[M+CH3COO]- 371.153151 184.4
[M+Na-2H]- 333.113966 179.1
[M]+ 312.13875142 175.5
[M]- 312.13984858 175.5
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.