CID 3056456

73790-23-5

Structural Information

Molecular Formula
C25H25N3O
SMILES
CN(C)C(=O)CCCC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C25H25N3O/c1-28(2)24(29)13-7-8-18-14-16-19(17-15-18)26-25-20-9-3-5-11-22(20)27-23-12-6-4-10-21(23)25/h3-6,9-12,14-17H,7-8,13H2,1-2H3,(H,26,27)
InChIKey
BTCFQYRTEZAKLN-UHFFFAOYSA-N
Compound name
4-[4-(acridin-9-ylamino)phenyl]-N,N-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.19977 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20705 194.5
[M+Na]+ 406.18899 200.6
[M-H]- 382.19249 202.2
[M+NH4]+ 401.23359 206.3
[M+K]+ 422.16293 194.5
[M+H-H2O]+ 366.19703 183.1
[M+HCOO]- 428.19797 216.1
[M+CH3COO]- 442.21362 203.8
[M+Na-2H]- 404.17444 200.8
[M]+ 383.19922 197.3
[M]- 383.20032 197.3
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.