CID 71340256

124656-61-7

Structural Information

Molecular Formula
C23H21N3O2S
SMILES
C1=CC=C(C=C1)CSCC(C(=O)N2C3=CC=CC=C3C=C4C2=CC=C(C4=O)N)N
InChI
InChI=1S/C23H21N3O2S/c24-18-10-11-21-17(22(18)27)12-16-8-4-5-9-20(16)26(21)23(28)19(25)14-29-13-15-6-2-1-3-7-15/h1-12,19H,13-14,24-25H2
InChIKey
VJWVFGTZWNEEMQ-UHFFFAOYSA-N
Compound name
2-amino-10-(2-amino-3-benzylsulfanylpropanoyl)acridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.13544 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.142716 193.5
[M+Na]+ 426.124658 200.4
[M-H]- 402.128164 199.1
[M+NH4]+ 421.169263 204.2
[M+K]+ 442.098598 193.1
[M+H-H2O]+ 386.132700 184.2
[M+HCOO]- 448.133641 207.3
[M+CH3COO]- 462.149291 201.8
[M+Na-2H]- 424.110106 196.0
[M]+ 403.13489142 194.5
[M]- 403.13598858 194.5
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.