CID 3055508

Brn 0452724

Structural Information

Molecular Formula
C17H15ClN4O2S
SMILES
COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(N2)C=CC=C3Cl
InChI
InChI=1S/C17H15ClN4O2S/c1-24-11-7-5-10(6-8-11)19-17(25)22-21-16(23)15-9-12-13(18)3-2-4-14(12)20-15/h2-9,20H,1H3,(H,21,23)(H2,19,22,25)
InChIKey
GEUPQWWOCJWFTR-UHFFFAOYSA-N
Compound name
1-[(4-chloro-1H-indole-2-carbonyl)amino]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.06042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06770 183.9
[M+Na]+ 397.04964 195.1
[M+NH4]+ 392.09424 190.8
[M+K]+ 413.02358 188.2
[M-H]- 373.05314 188.0
[M+Na-2H]- 395.03509 190.3
[M]+ 374.05987 187.1
[M]- 374.06097 187.1
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.