CID 5272382

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

Structural Information

Molecular Formula
C30H29N5O3S2
SMILES
CN(C)C1=CC=CC2=C1C(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C30H29N5O3S2/c1-34(2)26-12-6-10-23-11-7-13-27(29(23)26)40(37,38)35(18-21-8-4-3-5-9-21)19-28(36)32-24-16-14-22(15-17-24)25-20-39-30(31)33-25/h3-17,20H,18-19H2,1-2H3,(H2,31,33)(H,32,36)
InChIKey
VWGWTGWIUTWBGC-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl-[8-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.1712 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.17848 232.4
[M+Na]+ 594.16042 237.1
[M-H]- 570.16392 245.5
[M+NH4]+ 589.20502 237.3
[M+K]+ 610.13436 231.1
[M+H-H2O]+ 554.16846 222.0
[M+HCOO]- 616.16940 246.7
[M+CH3COO]- 630.18505 238.7
[M+Na-2H]- 592.14587 236.1
[M]+ 571.17065 237.6
[M]- 571.17175 237.6
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.