CID 5272278

1-[4-(2-aminothiazol-4-yl)phenyl]-3-[2-(1h-indol-3-yl)ethyl]urea

Structural Information

Molecular Formula
C20H19N5OS
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C20H19N5OS/c21-19-25-18(12-27-19)13-5-7-15(8-6-13)24-20(26)22-10-9-14-11-23-17-4-2-1-3-16(14)17/h1-8,11-12,23H,9-10H2,(H2,21,25)(H2,22,24,26)
InChIKey
BDEHMZIXNRJXEC-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[2-(1H-indol-3-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.13104 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13832 182.5
[M+Na]+ 400.12026 190.5
[M-H]- 376.12376 190.5
[M+NH4]+ 395.16486 195.5
[M+K]+ 416.09420 183.2
[M+H-H2O]+ 360.12830 174.4
[M+HCOO]- 422.12924 202.3
[M+CH3COO]- 436.14489 192.6
[M+Na-2H]- 398.10571 184.6
[M]+ 377.13049 183.6
[M]- 377.13159 183.6
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.