CID 57608

100037-06-7

Structural Information

Molecular Formula

C₂₀H₂₀N₄O₃

SMILES

CC1=CC2=C(C=C1)N(C(=O)O2)CCC(=O)C3=CC=C(C=C3)NC4=NCCN4

InChI

InChI=1S/C20H20N4O3/c1-13-2-7-16-18(12-13)27-20(26)24(16)11-8-17(25)14-3-5-15(6-4-14)23-19-21-9-10-22-19/h2-7,12H,8-11H2,1H3,(H2,21,22,23)

InChIKey

LXTXVZWEVQYZDI-UHFFFAOYSA-N

Compound name

3-[3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 364.15353 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	365.160806	184.7
[M+Na]+	387.142748	193.2
[M-H]-	363.146254	192.2
[M+NH4]+	382.187353	195.2
[M+K]+	403.116688	188.1
[M+H-H2O]+	347.150790	175.2
[M+HCOO]-	409.151731	204.2
[M+CH3COO]-	423.167381	194.9
[M+Na-2H]-	385.128196	185.8
[M]+	364.15298142	187.1
[M]-	364.15407858	187.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.