CID 3033097

Brn 5631861

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)NNC(=S)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H20N4O2S/c1-12-16(15-5-3-4-6-17(15)20-12)11-18(24)22-23-19(26)21-13-7-9-14(25-2)10-8-13/h3-10,20H,11H2,1-2H3,(H,22,24)(H2,21,23,26)
InChIKey
YXYSIDKIONXQNM-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1307 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.137976 184.7
[M+Na]+ 391.119918 191.3
[M-H]- 367.123424 190.2
[M+NH4]+ 386.164523 197.7
[M+K]+ 407.093858 185.0
[M+H-H2O]+ 351.127960 176.6
[M+HCOO]- 413.128901 203.3
[M+CH3COO]- 427.144551 218.5
[M+Na-2H]- 389.105366 186.9
[M]+ 368.13015142 186.8
[M]- 368.13124858 186.8
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.