CID 3071529

Brn 5449330

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CC(C)(C)NC(=O)C1=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C41
InChI
InChI=1S/C21H19N3O2/c1-21(2,3)23-19(25)15-12-18-22-16-10-6-4-9-14(16)20(26)24(18)17-11-7-5-8-13(15)17/h4-12H,1-3H3,(H,23,25)
InChIKey
QEMQZYULTBPHRP-UHFFFAOYSA-N
Compound name
N-tert-butyl-12-oxoquinolino[2,1-b]quinazoline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14774 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15502 184.0
[M+Na]+ 368.13696 194.2
[M-H]- 344.14046 188.2
[M+NH4]+ 363.18156 197.5
[M+K]+ 384.11090 188.0
[M+H-H2O]+ 328.14500 174.3
[M+HCOO]- 390.14594 201.2
[M+CH3COO]- 404.16159 194.3
[M+Na-2H]- 366.12241 193.4
[M]+ 345.14719 187.4
[M]- 345.14829 187.4
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.