CID 38161

Icr 424

Structural Information

Molecular Formula
C22H21ClN2S
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=C4C=CC=CC4=N3)NCCCSCCCl
InChI
InChI=1S/C22H21ClN2S/c23-10-13-26-12-5-11-24-22-18-8-3-4-9-20(18)25-21-15-17-7-2-1-6-16(17)14-19(21)22/h1-4,6-9,14-15H,5,10-13H2,(H,24,25)
InChIKey
ISTUCXHWNLXXTK-UHFFFAOYSA-N
Compound name
N-[3-(2-chloroethylsulfanyl)propyl]benzo[b]acridin-12-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1114 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11868 187.4
[M+Na]+ 403.10062 205.7
[M+NH4]+ 398.14522 198.7
[M+K]+ 419.07456 190.8
[M-H]- 379.10412 194.0
[M+Na-2H]- 401.08607 196.2
[M]+ 380.11085 193.2
[M]- 380.11195 193.2
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.