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]+ 369.13798 184.7
[M+Na]+ 391.11992 191.3
[M-H]- 367.12342 190.2
[M+NH4]+ 386.16452 197.7
[M+K]+ 407.09386 185.0
[M+H-H2O]+ 351.12796 176.6
[M+HCOO]- 413.12890 203.3
[M+CH3COO]- 427.14455 218.5
[M+Na-2H]- 389.10537 186.9
[M]+ 368.13015 186.8
[M]- 368.13125 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.