CID 2792419

1008675-45-3

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C1CC(N(C1)C2=NC=NC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C13H13N3O2/c17-13(18)11-6-3-7-16(11)12-9-4-1-2-5-10(9)14-8-15-12/h1-2,4-5,8,11H,3,6-7H2,(H,17,18)
InChIKey
GFUFVXIKRWWWKO-UHFFFAOYSA-N
Compound name
1-quinazolin-4-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

243.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 154.1
[M+Na]+ 266.08999 161.7
[M-H]- 242.09349 156.3
[M+NH4]+ 261.13459 169.2
[M+K]+ 282.06393 157.5
[M+H-H2O]+ 226.09803 145.1
[M+HCOO]- 288.09897 170.6
[M+CH3COO]- 302.11462 165.0
[M+Na-2H]- 264.07544 157.9
[M]+ 243.10022 151.5
[M]- 243.10132 151.5
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

No patent data available for this compound.