CID 52676

73855-86-4

Structural Information

Molecular Formula
C19H21ClN2
SMILES
CNC1CN(C1)C2C3=CC=CC=C3CCC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H21ClN2/c1-21-16-11-22(12-16)19-17-5-3-2-4-13(17)6-7-14-8-9-15(20)10-18(14)19/h2-5,8-10,16,19,21H,6-7,11-12H2,1H3
InChIKey
NKXUMYSBPSETEK-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylazetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1393 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.146576 170.6
[M+Na]+ 335.128518 178.1
[M-H]- 311.132024 177.7
[M+NH4]+ 330.173123 180.4
[M+K]+ 351.102458 177.1
[M+H-H2O]+ 295.136560 159.4
[M+HCOO]- 357.137501 183.7
[M+CH3COO]- 371.153151 180.6
[M+Na-2H]- 333.113966 175.0
[M]+ 312.13875142 176.0
[M]- 312.13984858 176.0
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

No patent data available for this compound.