CID 3008594

Schembl6750791

Structural Information

Molecular Formula
C23H20N4O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCC3=CC4=C(C=C3)N=C(N=C4N)N
InChI
InChI=1S/C23H20N4O2/c24-21-18-13-15(11-12-19(18)26-23(25)27-21)14-29-22(28)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,20H,14H2,(H4,24,25,26,27)
InChIKey
DLNCZCUMIRKIEG-UHFFFAOYSA-N
Compound name
(2,4-diaminoquinazolin-6-yl)methyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

384.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16591 192.3
[M+Na]+ 407.14785 197.8
[M-H]- 383.15135 198.9
[M+NH4]+ 402.19245 200.0
[M+K]+ 423.12179 191.4
[M+H-H2O]+ 367.15589 180.4
[M+HCOO]- 429.15683 211.0
[M+CH3COO]- 443.17248 200.3
[M+Na-2H]- 405.13330 196.3
[M]+ 384.15808 190.1
[M]- 384.15918 190.1
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