CID 320282

Puk10voh59

Structural Information

Molecular Formula
C23H26N4O4
SMILES
CC(=O)NC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)NC(=O)CN(CCO)CCO
InChI
InChI=1S/C23H26N4O4/c1-16(30)25-23-22(20-5-3-2-4-18(20)14-24-23)17-6-8-19(9-7-17)26-21(31)15-27(10-12-28)11-13-29/h2-9,14,28-29H,10-13,15H2,1H3,(H,26,31)(H,24,25,30)
InChIKey
QUDQMWBRFUVNLH-UHFFFAOYSA-N
Compound name
N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-hydroxyethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20268 199.8
[M+Na]+ 445.18462 202.4
[M-H]- 421.18812 203.9
[M+NH4]+ 440.22922 207.2
[M+K]+ 461.15856 198.7
[M+H-H2O]+ 405.19266 189.3
[M+HCOO]- 467.19360 219.1
[M+CH3COO]- 481.20925 234.3
[M+Na-2H]- 443.17007 202.5
[M]+ 422.19485 200.7
[M]- 422.19595 200.7
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.