CID 162345343

Ns00133455

Structural Information

Molecular Formula
C20H21N3O5
SMILES
COCCOC1=C(C(=C2C(=C1)C3=NC4=CC=CC=C4N3C=N2)O)OCCOC
InChI
InChI=1S/C20H21N3O5/c1-25-7-9-27-16-11-13-17(18(24)19(16)28-10-8-26-2)21-12-23-15-6-4-3-5-14(15)22-20(13)23/h3-6,11-12,24H,7-10H2,1-2H3
InChIKey
NHKLKCRPWZGLJC-UHFFFAOYSA-N
Compound name
2,3-bis(2-methoxyethoxy)benzimidazolo[1,2-c]quinazolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.14813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.155406 189.7
[M+Na]+ 406.137348 200.9
[M-H]- 382.140854 191.9
[M+NH4]+ 401.181953 201.8
[M+K]+ 422.111288 196.1
[M+H-H2O]+ 366.145390 179.7
[M+HCOO]- 428.146331 208.3
[M+CH3COO]- 442.161981 199.9
[M+Na-2H]- 404.122796 196.2
[M]+ 383.14758142 201.4
[M]- 383.14867858 201.4
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.