CID 3064569

104965-33-5

Structural Information

Molecular Formula
C23H30N8O4
SMILES
CC(C)NC1=NC(=NC=C1C(=O)OC)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
InChI
InChI=1S/C23H30N8O4/c1-13(2)26-20-15(21(32)35-5)12-25-22(29-20)30-6-8-31(9-7-30)23-27-16-11-18(34-4)17(33-3)10-14(16)19(24)28-23/h10-13H,6-9H2,1-5H3,(H2,24,27,28)(H,25,26,29)
InChIKey
APJSXLPAKSJKEV-UHFFFAOYSA-N
Compound name
methyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-(propan-2-ylamino)pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.239 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.24628 221.2
[M+Na]+ 505.22822 226.7
[M-H]- 481.23172 223.6
[M+NH4]+ 500.27282 220.4
[M+K]+ 521.20216 221.4
[M+H-H2O]+ 465.23626 207.4
[M+HCOO]- 527.23720 230.9
[M+CH3COO]- 541.25285 247.2
[M+Na-2H]- 503.21367 221.2
[M]+ 482.23845 222.1
[M]- 482.23955 222.1
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

No patent data available for this compound.