CID 15955180

N,2-dimethyl-2-[[5-methyl-4-oxo-6-[[(e)-3-phenylprop-2-enoyl]amino]-3,1-benzoxazin-2-yl]amino]-n-[2-(2-pyridyl)ethyl]propanamide

Structural Information

Molecular Formula
C30H31N5O4
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)(C)C(=O)N(C)CCC3=CC=CC=N3)NC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C30H31N5O4/c1-20-23(32-25(36)16-13-21-10-6-5-7-11-21)14-15-24-26(20)27(37)39-29(33-24)34-30(2,3)28(38)35(4)19-17-22-12-8-9-18-31-22/h5-16,18H,17,19H2,1-4H3,(H,32,36)(H,33,34)/b16-13+
InChIKey
USMAGEBUVDAFNQ-DTQAZKPQSA-N
Compound name
N,2-dimethyl-2-[[5-methyl-4-oxo-6-[[(E)-3-phenylprop-2-enoyl]amino]-3,1-benzoxazin-2-yl]amino]-N-(2-pyridin-2-ylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.2376 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.24488 232.0
[M+Na]+ 548.22682 235.2
[M-H]- 524.23032 241.0
[M+NH4]+ 543.27142 233.2
[M+K]+ 564.20076 231.5
[M+H-H2O]+ 508.23486 218.6
[M+HCOO]- 570.23580 249.1
[M+CH3COO]- 584.25145 257.7
[M+Na-2H]- 546.21227 235.3
[M]+ 525.23705 235.3
[M]- 525.23815 235.3
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.