CID 389250

Nsc685003

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N
InChI
InChI=1S/C16H11ClN2O2/c17-11-6-7-14-10(8-11)9-13(15(18)21-14)16(20)19-12-4-2-1-3-5-12/h1-9,18H,(H,19,20)
InChIKey
ORUVNCNNXWPLIQ-UHFFFAOYSA-N
Compound name
6-chloro-2-imino-N-phenylchromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0509 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05818 165.9
[M+Na]+ 321.04012 175.3
[M-H]- 297.04362 174.6
[M+NH4]+ 316.08472 181.1
[M+K]+ 337.01406 170.1
[M+H-H2O]+ 281.04816 158.5
[M+HCOO]- 343.04910 185.7
[M+CH3COO]- 357.06475 178.2
[M+Na-2H]- 319.02557 173.6
[M]+ 298.05035 168.1
[M]- 298.05145 168.1
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

No patent data available for this compound.