CID 162345608

Ns00133456

Structural Information

Molecular Formula
C22H21N3O4
SMILES
COCCOC1=C(C=C2C(=C1)C3=NC4=C(C=CC=C4N3C=N2)C#C)OCCOC
InChI
InChI=1S/C22H21N3O4/c1-4-15-6-5-7-18-21(15)24-22-16-12-19(28-10-8-26-2)20(29-11-9-27-3)13-17(16)23-14-25(18)22/h1,5-7,12-14H,8-11H2,2-3H3
InChIKey
XDFZJVJTLXSAFH-UHFFFAOYSA-N
Compound name
11-ethynyl-2,3-bis(2-methoxyethoxy)benzimidazolo[1,2-c]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1532 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.160476 192.7
[M+Na]+ 414.142418 205.9
[M-H]- 390.145924 192.4
[M+NH4]+ 409.187023 203.0
[M+K]+ 430.116358 196.6
[M+H-H2O]+ 374.150460 176.1
[M+HCOO]- 436.151401 205.9
[M+CH3COO]- 450.167051 200.7
[M+Na-2H]- 412.127866 196.3
[M]+ 391.15265142 197.3
[M]- 391.15374858 197.3
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.