CID 5276747

Schembl13329878

Structural Information

Molecular Formula
C22H32N4O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCCCC3)N4CCCCCC4)OC
InChI
InChI=1S/C22H32N4O2/c1-27-19-15-17-18(16-20(19)28-2)23-22(26-13-9-5-6-10-14-26)24-21(17)25-11-7-3-4-8-12-25/h15-16H,3-14H2,1-2H3
InChIKey
ZBBSUHCKKZGZFN-UHFFFAOYSA-N
Compound name
2,4-bis(azepan-1-yl)-6,7-dimethoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.25253 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.25981 199.3
[M+Na]+ 407.24175 204.1
[M-H]- 383.24525 205.1
[M+NH4]+ 402.28635 205.1
[M+K]+ 423.21569 203.2
[M+H-H2O]+ 367.24979 187.3
[M+HCOO]- 429.25073 207.7
[M+CH3COO]- 443.26638 204.4
[M+Na-2H]- 405.22720 198.3
[M]+ 384.25198 191.2
[M]- 384.25308 191.2
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

patents stripe