CID 3061443

79221-26-4

Structural Information

Molecular Formula
C21H24N6O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4)N)OC
InChI
InChI=1S/C21H24N6O3/c1-29-17-12-15-16(13-18(17)30-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(28)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,28)(H2,22,24,25)
InChIKey
LWEWMCLJACLWLE-UHFFFAOYSA-N
Compound name
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

408.19098 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19826 198.8
[M+Na]+ 431.18020 211.7
[M+NH4]+ 426.22480 203.7
[M+K]+ 447.15414 205.4
[M-H]- 407.18370 203.5
[M+Na-2H]- 429.16565 205.5
[M]+ 408.19043 201.6
[M]- 408.19153 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