CID 5272383

Acetamide, n-[4-(2-amino-4-thiazolyl)phenyl]-2-[[[8-(dimethylamino)-1-naphthalenyl]sulfonyl](4-pyridinylmethyl)amino]-

Structural Information

Molecular Formula
C29H28N6O3S2
SMILES
CN(C)C1=CC=CC2=C1C(=CC=C2)S(=O)(=O)N(CC3=CC=NC=C3)CC(=O)NC4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C29H28N6O3S2/c1-34(2)25-7-3-5-22-6-4-8-26(28(22)25)40(37,38)35(17-20-13-15-31-16-14-20)18-27(36)32-23-11-9-21(10-12-23)24-19-39-29(30)33-24/h3-16,19H,17-18H2,1-2H3,(H2,30,33)(H,32,36)
InChIKey
OJIZWBIUJKJSDC-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[[8-(dimethylamino)naphthalen-1-yl]sulfonyl-(pyridin-4-ylmethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.16644 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.17372 230.4
[M+Na]+ 595.15566 235.6
[M-H]- 571.15916 242.7
[M+NH4]+ 590.20026 234.0
[M+K]+ 611.12960 229.4
[M+H-H2O]+ 555.16370 219.9
[M+HCOO]- 617.16464 244.0
[M+CH3COO]- 631.18029 236.6
[M+Na-2H]- 593.14111 235.0
[M]+ 572.16589 235.7
[M]- 572.16699 235.7
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.