CID 3056865

Valeramide, 5-(p-(9-acridinylamino)phenyl)-, methanesulfonate, hemihydrate

Structural Information

Molecular Formula
C24H23N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCC(=O)N
InChI
InChI=1S/C24H23N3O/c25-23(28)12-6-1-7-17-13-15-18(16-14-17)26-24-19-8-2-4-10-21(19)27-22-11-5-3-9-20(22)24/h2-5,8-11,13-16H,1,6-7,12H2,(H2,25,28)(H,26,27)
InChIKey
TWYKMGVHZKWCKU-UHFFFAOYSA-N
Compound name
5-[4-(acridin-9-ylamino)phenyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.1841 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19138 189.0
[M+Na]+ 392.17332 195.5
[M-H]- 368.17682 195.0
[M+NH4]+ 387.21792 200.5
[M+K]+ 408.14726 187.9
[M+H-H2O]+ 352.18136 178.2
[M+HCOO]- 414.18230 209.9
[M+CH3COO]- 428.19795 198.0
[M+Na-2H]- 390.15877 195.7
[M]+ 369.18355 189.5
[M]- 369.18465 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.