CID 3013460

Schembl5849208

Structural Information

Molecular Formula
C17H12ClN3O2S
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2CC4=CC=C(S4)Cl)C(=O)NO
InChI
InChI=1S/C17H12ClN3O2S/c18-16-6-5-10(24-16)9-21-14-4-2-1-3-11(14)12-7-13(17(22)20-23)19-8-15(12)21/h1-8,23H,9H2,(H,20,22)
InChIKey
SCHFVLGEEVDWKS-UHFFFAOYSA-N
Compound name
9-[(5-chlorothiophen-2-yl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

357.03387 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04115 179.2
[M+Na]+ 380.02309 192.5
[M-H]- 356.02659 186.3
[M+NH4]+ 375.06769 196.4
[M+K]+ 395.99703 185.3
[M+H-H2O]+ 340.03113 173.4
[M+HCOO]- 402.03207 193.8
[M+CH3COO]- 416.04772 191.4
[M+Na-2H]- 378.00854 181.5
[M]+ 357.03332 188.1
[M]- 357.03442 188.1
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

patents stripe