CID 9571605

Nsc686367

Structural Information

Molecular Formula
C19H18N4O2S
SMILES
CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C19H18N4O2S/c1-2-23-18(25)15-10-6-7-11-16(15)21-19(23)26-13-17(24)22-20-12-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,22,24)/b20-12+
InChIKey
SVHMJVCNNBOTLB-UDWIEESQSA-N
Compound name
N-[(E)-benzylideneamino]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11505 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12233 184.5
[M+Na]+ 389.10427 192.4
[M-H]- 365.10777 190.6
[M+NH4]+ 384.14887 195.7
[M+K]+ 405.07821 185.9
[M+H-H2O]+ 349.11231 174.3
[M+HCOO]- 411.11325 202.7
[M+CH3COO]- 425.12890 220.8
[M+Na-2H]- 387.08972 189.3
[M]+ 366.11450 188.7
[M]- 366.11560 188.7
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.