CID 112999

Einecs 263-827-8

Structural Information

Molecular Formula
C32H34N4O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NCCC4=CC=CC=C4NC(=O)C)C
InChI
InChI=1S/C32H34N4O3/c1-5-36(6-2)24-15-16-28(21(3)19-24)35-30-20-27(31(38)26-13-9-8-12-25(26)30)32(39)33-18-17-23-11-7-10-14-29(23)34-22(4)37/h7-16,19-20H,5-6,17-18H2,1-4H3,(H,33,39)(H,34,37)
InChIKey
XFESIBWPGWHDKC-UHFFFAOYSA-N
Compound name
N-[2-(2-acetamidophenyl)ethyl]-4-[4-(diethylamino)-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.26306 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.27034 232.3
[M+Na]+ 545.25228 234.7
[M-H]- 521.25578 243.9
[M+NH4]+ 540.29688 238.4
[M+K]+ 561.22622 230.3
[M+H-H2O]+ 505.26032 219.5
[M+HCOO]- 567.26126 254.6
[M+CH3COO]- 581.27691 265.6
[M+Na-2H]- 543.23773 230.8
[M]+ 522.26251 234.4
[M]- 522.26361 234.4
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.