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 183.9
[M+Na]+ 403.10062 193.6
[M-H]- 379.10412 188.0
[M+NH4]+ 398.14522 199.0
[M+K]+ 419.07456 184.3
[M+H-H2O]+ 363.10866 175.7
[M+HCOO]- 425.10960 195.0
[M+CH3COO]- 439.12525 193.8
[M+Na-2H]- 401.08607 191.4
[M]+ 380.11085 191.3
[M]- 380.11195 191.3
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.