CID 9571355

Nsc647946

Structural Information

Molecular Formula
C21H19N3O5
SMILES
CC1=CC=C(C=C1)NC(=O)CC(=O)N/N=C/2\C=C(OC3=CC=CC=C32)C(=O)OC
InChI
InChI=1S/C21H19N3O5/c1-13-7-9-14(10-8-13)22-19(25)12-20(26)24-23-16-11-18(21(27)28-2)29-17-6-4-3-5-15(16)17/h3-11H,12H2,1-2H3,(H,22,25)(H,24,26)/b23-16+
InChIKey
KNBWLAJELSZZCK-XQNSMLJCSA-N
Compound name
methyl (4E)-4-[[3-(4-methylanilino)-3-oxopropanoyl]hydrazinylidene]chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13248 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13976 192.6
[M+Na]+ 416.12170 197.8
[M-H]- 392.12520 202.0
[M+NH4]+ 411.16630 202.6
[M+K]+ 432.09564 196.6
[M+H-H2O]+ 376.12974 182.4
[M+HCOO]- 438.13068 216.5
[M+CH3COO]- 452.14633 230.1
[M+Na-2H]- 414.10715 197.2
[M]+ 393.13193 196.4
[M]- 393.13303 196.4
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.