CID 381016

Nsc666999

Structural Information

Molecular Formula
C16H14ClN3O3S
SMILES
CN1C=C(C2=CC=CC=C21)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H14ClN3O3S/c1-20-10-15(13-4-2-3-5-14(13)20)24(22,23)19-16(21)18-12-8-6-11(17)7-9-12/h2-10H,1H3,(H2,18,19,21)
InChIKey
QRSQPLAOVPDPAZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(1-methylindol-3-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.04443 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05171 181.5
[M+Na]+ 386.03365 192.0
[M-H]- 362.03715 189.2
[M+NH4]+ 381.07825 196.7
[M+K]+ 402.00759 185.8
[M+H-H2O]+ 346.04169 175.0
[M+HCOO]- 408.04263 196.9
[M+CH3COO]- 422.05828 212.6
[M+Na-2H]- 384.01910 186.1
[M]+ 363.04388 188.2
[M]- 363.04498 188.2
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.