CID 86300657

Wc5yf463be

Structural Information

Molecular Formula
C20H20ClN3O
SMILES
CC[C@@H](C)N([11CH3])C(=O)C1=NC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3/t13-/m1/s1/i3-1
InChIKey
ASFLYNMYGAYKON-XFBLKYPGSA-N
Compound name
N-[(2R)-butan-2-yl]-4-(2-chlorophenyl)-N-(111C)methylquinazoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.14093 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14821 183.0
[M+Na]+ 375.13015 199.0
[M+NH4]+ 370.17475 191.2
[M+K]+ 391.10409 190.4
[M-H]- 351.13365 188.1
[M+Na-2H]- 373.11560 191.8
[M]+ 352.14038 187.2
[M]- 352.14148 187.2
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.