CID 499973

3-benzoyl-2-imino-5-methoxy-8-methyl-pyrano[3,2-g]chromen-6-one

Structural Information

Molecular Formula
C21H15NO5
SMILES
CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=C(C(=N)O3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H15NO5/c1-11-8-15(23)18-17(26-11)10-16-13(20(18)25-2)9-14(21(22)27-16)19(24)12-6-4-3-5-7-12/h3-10,22H,1-2H3
InChIKey
NBLDFJUQHCPHRZ-UHFFFAOYSA-N
Compound name
3-benzoyl-2-imino-5-methoxy-8-methylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.09503 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10231 183.8
[M+Na]+ 384.08425 195.6
[M-H]- 360.08775 195.2
[M+NH4]+ 379.12885 195.6
[M+K]+ 400.05819 193.4
[M+H-H2O]+ 344.09229 174.2
[M+HCOO]- 406.09323 205.7
[M+CH3COO]- 420.10888 196.3
[M+Na-2H]- 382.06970 191.1
[M]+ 361.09448 191.2
[M]- 361.09558 191.2
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.