CID 15955208

N-[2-[[1,1-dimethyl-2-[methyl-[2-(2-pyridyl)ethyl]amino]-2-oxo-ethyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]naphthalene-1-carboxamide

Structural Information

Molecular Formula
C32H31N5O4
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)(C)C(=O)N(C)CCC3=CC=CC=N3)NC(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C32H31N5O4/c1-20-25(34-28(38)24-14-9-11-21-10-5-6-13-23(21)24)15-16-26-27(20)29(39)41-31(35-26)36-32(2,3)30(40)37(4)19-17-22-12-7-8-18-33-22/h5-16,18H,17,19H2,1-4H3,(H,34,38)(H,35,36)
InChIKey
KKNIEVBTOQKQHX-UHFFFAOYSA-N
Compound name
N-[5-methyl-2-[[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-4-oxo-3,1-benzoxazin-6-yl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

549.2376 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.24488 236.9
[M+Na]+ 572.22682 241.5
[M-H]- 548.23032 247.1
[M+NH4]+ 567.27142 238.0
[M+K]+ 588.20076 238.0
[M+H-H2O]+ 532.23486 222.9
[M+HCOO]- 594.23580 253.5
[M+CH3COO]- 608.25145 263.4
[M+Na-2H]- 570.21227 242.4
[M]+ 549.23705 241.8
[M]- 549.23815 241.8
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