CID 3061447

79221-28-6

Structural Information

Molecular Formula
C22H26N6O3
SMILES
CC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
InChI
InChI=1S/C22H26N6O3/c1-14-6-4-5-7-16(14)25-22(29)28-10-8-27(9-11-28)21-24-17-13-19(31-3)18(30-2)12-15(17)20(23)26-21/h4-7,12-13H,8-11H2,1-3H3,(H,25,29)(H2,23,24,26)
InChIKey
KLDVSIIIEOOMJZ-UHFFFAOYSA-N
Compound name
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

422.20663 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21391 205.6
[M+Na]+ 445.19585 211.5
[M-H]- 421.19935 210.2
[M+NH4]+ 440.24045 210.0
[M+K]+ 461.16979 205.7
[M+H-H2O]+ 405.20389 192.5
[M+HCOO]- 467.20483 219.3
[M+CH3COO]- 481.22048 212.1
[M+Na-2H]- 443.18130 207.2
[M]+ 422.20608 204.0
[M]- 422.20718 204.0
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