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]+ 346.155016 184.0
[M+Na]+ 368.136958 194.2
[M-H]- 344.140464 188.2
[M+NH4]+ 363.181563 197.5
[M+K]+ 384.110898 188.0
[M+H-H2O]+ 328.145000 174.3
[M+HCOO]- 390.145941 201.2
[M+CH3COO]- 404.161591 194.3
[M+Na-2H]- 366.122406 193.4
[M]+ 345.14719142 187.4
[M]- 345.14828858 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.