CID 9885305

77422-99-2

Structural Information

Molecular Formula
C19H14N4O4
SMILES
CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N4C1=CC(=N4)C(=O)O
InChI
InChI=1S/C19H14N4O4/c1-22-15-8-7-12(20-17(24)11-5-3-2-4-6-11)9-13(15)18(25)23-16(22)10-14(21-23)19(26)27/h2-10H,1H3,(H,20,24)(H,26,27)
InChIKey
IAZAGXDMMVWYKF-UHFFFAOYSA-N
Compound name
7-benzamido-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

12
Patents

362.1015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10878 182.3
[M+Na]+ 385.09072 192.8
[M-H]- 361.09422 187.4
[M+NH4]+ 380.13532 193.5
[M+K]+ 401.06466 187.2
[M+H-H2O]+ 345.09876 172.8
[M+HCOO]- 407.09970 201.2
[M+CH3COO]- 421.11535 192.7
[M+Na-2H]- 383.07617 186.6
[M]+ 362.10095 186.1
[M]- 362.10205 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe