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 183.4
[M+Na]+ 375.13015 191.1
[M-H]- 351.13365 189.2
[M+NH4]+ 370.17475 195.7
[M+K]+ 391.10409 185.5
[M+H-H2O]+ 335.13819 173.5
[M+HCOO]- 397.13913 198.0
[M+CH3COO]- 411.15478 220.4
[M+Na-2H]- 373.11560 186.4
[M]+ 352.14038 187.7
[M]- 352.14148 187.7
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.