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]+ 362.18630 187.4
[M+Na]+ 384.16824 192.8
[M-H]- 360.17174 197.2
[M+NH4]+ 379.21284 201.3
[M+K]+ 400.14218 189.2
[M+H-H2O]+ 344.17628 177.5
[M+HCOO]- 406.17722 212.2
[M+CH3COO]- 420.19287 230.9
[M+Na-2H]- 382.15369 190.4
[M]+ 361.17847 189.0
[M]- 361.17957 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