CID 78357767

Unc0379

Structural Information

Molecular Formula
C23H35N5O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC3)NCCCCCN4CCCC4)OC
InChI
InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
InChIKey
WEXCGGWTIDNVNT-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

110
Patents

413.27908 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.28636 201.7
[M+Na]+ 436.26830 204.8
[M-H]- 412.27180 205.9
[M+NH4]+ 431.31290 210.5
[M+K]+ 452.24224 199.5
[M+H-H2O]+ 396.27634 189.5
[M+HCOO]- 458.27728 215.9
[M+CH3COO]- 472.29293 208.3
[M+Na-2H]- 434.25375 198.3
[M]+ 413.27853 201.6
[M]- 413.27963 201.6
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