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]+ 404.14272 193.5
[M+Na]+ 426.12466 200.4
[M-H]- 402.12816 199.1
[M+NH4]+ 421.16926 204.2
[M+K]+ 442.09860 193.1
[M+H-H2O]+ 386.13270 184.2
[M+HCOO]- 448.13364 207.3
[M+CH3COO]- 462.14929 201.8
[M+Na-2H]- 424.11011 196.0
[M]+ 403.13489 194.5
[M]- 403.13599 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.