CID 371143

Nsc645147

Structural Information

Molecular Formula
C20H15ClN2OS
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SC4=CC=C(C=C4)N
InChI
InChI=1S/C20H15ClN2OS/c1-24-14-5-9-18-17(11-14)20(25-15-6-3-13(22)4-7-15)16-8-2-12(21)10-19(16)23-18/h2-11H,22H2,1H3
InChIKey
DKBCHQPZEVLSDX-UHFFFAOYSA-N
Compound name
4-(6-chloro-2-methoxyacridin-9-yl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.05936 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.06664 181.5
[M+Na]+ 389.04858 193.8
[M-H]- 365.05208 188.9
[M+NH4]+ 384.09318 196.1
[M+K]+ 405.02252 185.3
[M+H-H2O]+ 349.05662 173.4
[M+HCOO]- 411.05756 194.4
[M+CH3COO]- 425.07321 192.8
[M+Na-2H]- 387.03403 186.9
[M]+ 366.05881 188.4
[M]- 366.05991 188.4
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.