CID 374205

Nsc651695

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)N5CCOCC5)C
InChI
InChI=1S/C22H26N4O2/c1-22(2)21-23-19-5-3-4-6-20(19)26(21)15-25(16-28-22)18-9-7-17(8-10-18)24-11-13-27-14-12-24/h3-10H,11-16H2,1-2H3
InChIKey
JHAHMXUOSUZVOH-UHFFFAOYSA-N
Compound name
1,1-dimethyl-4-(4-morpholin-4-ylphenyl)-3,5-dihydro-[1,3,5]oxadiazepino[5,6-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 193.4
[M+Na]+ 401.19479 201.1
[M-H]- 377.19829 201.4
[M+NH4]+ 396.23939 201.9
[M+K]+ 417.16873 199.3
[M+H-H2O]+ 361.20283 180.3
[M+HCOO]- 423.20377 203.7
[M+CH3COO]- 437.21942 201.5
[M+Na-2H]- 399.18024 195.3
[M]+ 378.20502 189.7
[M]- 378.20612 189.7
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.