CID 135436145

Nsc710108

Structural Information

Molecular Formula
C17H12N4O2S
SMILES
CSC1=NC2=CC=CC=C2C(=O)N1/N=C\3/C4=CC=CC=C4NC3=O
InChI
InChI=1S/C17H12N4O2S/c1-24-17-19-13-9-5-3-7-11(13)16(23)21(17)20-14-10-6-2-4-8-12(10)18-15(14)22/h2-9H,1H3,(H,18,20,22)
InChIKey
TXRPNAMOSJVNPN-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.06808 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07536 176.3
[M+Na]+ 359.05730 188.2
[M-H]- 335.06080 181.9
[M+NH4]+ 354.10190 190.5
[M+K]+ 375.03124 180.7
[M+H-H2O]+ 319.06534 167.8
[M+HCOO]- 381.06628 191.7
[M+CH3COO]- 395.08193 187.3
[M+Na-2H]- 357.04275 179.7
[M]+ 336.06753 179.4
[M]- 336.06863 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.