CID 5272284

1-[4-(2-aminothiazol-4-yl)phenyl]-3-[(4-dimethylaminophenyl)methyl]urea

Structural Information

Molecular Formula
C19H21N5OS
SMILES
CN(C)C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C19H21N5OS/c1-24(2)16-9-3-13(4-10-16)11-21-19(25)22-15-7-5-14(6-8-15)17-12-26-18(20)23-17/h3-10,12H,11H2,1-2H3,(H2,20,23)(H2,21,22,25)
InChIKey
NCZJMNTZIKOCLI-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15395 185.1
[M+Na]+ 390.13589 190.6
[M-H]- 366.13939 194.9
[M+NH4]+ 385.18049 197.5
[M+K]+ 406.10983 185.6
[M+H-H2O]+ 350.14393 175.3
[M+HCOO]- 412.14487 206.9
[M+CH3COO]- 426.16052 226.1
[M+Na-2H]- 388.12134 186.0
[M]+ 367.14612 185.8
[M]- 367.14722 185.8
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.