CID 389252

Nsc685005

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C21H23N3O2/c1-3-24(4-2)17-11-10-16-12-18(20(22)26-19(16)13-17)21(25)23-14-15-8-6-5-7-9-15/h5-13,22H,3-4,14H2,1-2H3,(H,23,25)
InChIKey
MNFDHIMZDCZTPV-UHFFFAOYSA-N
Compound name
N-benzyl-7-(diethylamino)-2-iminochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 185.8
[M+Na]+ 372.16824 191.2
[M-H]- 348.17174 195.0
[M+NH4]+ 367.21284 198.0
[M+K]+ 388.14218 188.1
[M+H-H2O]+ 332.17628 175.9
[M+HCOO]- 394.17722 209.7
[M+CH3COO]- 408.19287 225.6
[M+Na-2H]- 370.15369 191.0
[M]+ 349.17847 187.6
[M]- 349.17957 187.6
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.