CID 157295

79221-18-4

Structural Information

Molecular Formula
C20H28N6O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)NC4CCCC4)N)OC
InChI
InChI=1S/C20H28N6O3/c1-28-16-11-14-15(12-17(16)29-2)23-19(24-18(14)21)25-7-9-26(10-8-25)20(27)22-13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H,22,27)(H2,21,23,24)
InChIKey
PWWDIFPSNCJDQM-UHFFFAOYSA-N
Compound name
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-cyclopentylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

400.2223 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22958 196.1
[M+Na]+ 423.21152 199.9
[M-H]- 399.21502 200.3
[M+NH4]+ 418.25612 203.1
[M+K]+ 439.18546 195.3
[M+H-H2O]+ 383.21956 184.2
[M+HCOO]- 445.22050 208.9
[M+CH3COO]- 459.23615 202.6
[M+Na-2H]- 421.19697 194.7
[M]+ 400.22175 191.7
[M]- 400.22285 191.7
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

patents stripe