CID 5272502

Xexqlamwowysmh-uhfffaoysa-n

Structural Information

Molecular Formula
C25H30N4O3S
SMILES
CC(C)(C)OC(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N(C)C
InChI
InChI=1S/C25H30N4O3S/c1-25(2,3)32-24(31)29(15-18-9-7-6-8-10-18)16-22(30)26-20-13-11-19(12-14-20)21-17-33-23(27-21)28(4)5/h6-14,17H,15-16H2,1-5H3,(H,26,30)
InChIKey
XEXQLAMWOWYSMH-UHFFFAOYSA-N
Compound name
tert-butyl N-benzyl-N-[2-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]anilino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

466.20386 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.21114 215.4
[M+Na]+ 489.19308 217.9
[M-H]- 465.19658 226.1
[M+NH4]+ 484.23768 224.4
[M+K]+ 505.16702 215.7
[M+H-H2O]+ 449.20112 205.0
[M+HCOO]- 511.20206 233.2
[M+CH3COO]- 525.21771 244.2
[M+Na-2H]- 487.17853 214.2
[M]+ 466.20331 221.3
[M]- 466.20441 221.3
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

patents stripe