CID 3055507

72548-95-9

Structural Information

Molecular Formula
C17H15ClN4O2S
SMILES
COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC3=C(N2)C=CC=C3Cl
InChI
InChI=1S/C17H15ClN4O2S/c1-24-15-8-3-2-6-13(15)20-17(25)22-21-16(23)14-9-10-11(18)5-4-7-12(10)19-14/h2-9,19H,1H3,(H,21,23)(H2,20,22,25)
InChIKey
NNTFXJAPBNIARY-UHFFFAOYSA-N
Compound name
1-[(4-chloro-1H-indole-2-carbonyl)amino]-3-(2-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]+ 375.067696 183.0
[M+Na]+ 397.049638 191.2
[M-H]- 373.053144 188.9
[M+NH4]+ 392.094243 196.8
[M+K]+ 413.023578 184.0
[M+H-H2O]+ 357.057680 176.2
[M+HCOO]- 419.058621 197.9
[M+CH3COO]- 433.074271 193.0
[M+Na-2H]- 395.035086 185.8
[M]+ 374.05987142 186.8
[M]- 374.06096858 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.