CID 13931131

4899-82-5

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CCN(CC)C1=CC=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC
InChI
InChI=1S/C22H23N3O2/c1-4-25(5-2)16-12-10-15(11-13-16)24-20-14-19(22(27)23-3)21(26)18-9-7-6-8-17(18)20/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKey
MIEPHHHNLFMNBK-UHFFFAOYSA-N
Compound name
4-[4-(diethylamino)phenyl]imino-N-methyl-1-oxonaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

135
Patents

361.17902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 187.4
[M+Na]+ 384.168238 192.8
[M-H]- 360.171744 197.2
[M+NH4]+ 379.212843 201.3
[M+K]+ 400.142178 189.2
[M+H-H2O]+ 344.176280 177.5
[M+HCOO]- 406.177221 212.2
[M+CH3COO]- 420.192871 230.9
[M+Na-2H]- 382.153686 190.4
[M]+ 361.17847142 189.0
[M]- 361.17956858 189.0
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

patents stripe