CID 6480866

2h-indol-2-one, 3-[[4-amino-5-[(4-chlorophenyl)methyl]-2-pyrimidinyl]amino]-5-chloro-1-[(2,6-dimethyl-4-morpholinyl)methyl]-1,3-dihydro-

Structural Information

Molecular Formula
C26H28Cl2N6O2
SMILES
CC1CN(CC(O1)C)CN2C3=C(C=C(C=C3)Cl)C(C2=O)NC4=NC=C(C(=N4)N)CC5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H28Cl2N6O2/c1-15-12-33(13-16(2)36-15)14-34-22-8-7-20(28)10-21(22)23(25(34)35)31-26-30-11-18(24(29)32-26)9-17-3-5-19(27)6-4-17/h3-8,10-11,15-16,23H,9,12-14H2,1-2H3,(H3,29,30,31,32)
InChIKey
XBEQWOMGIJJCCL-UHFFFAOYSA-N
Compound name
3-[[4-amino-5-[(4-chlorophenyl)methyl]pyrimidin-2-yl]amino]-5-chloro-1-[(2,6-dimethylmorpholin-4-yl)methyl]-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

526.1651 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.17238 233.1
[M+Na]+ 549.15432 241.1
[M-H]- 525.15782 240.5
[M+NH4]+ 544.19892 235.4
[M+K]+ 565.12826 232.8
[M+H-H2O]+ 509.16236 219.7
[M+HCOO]- 571.16330 235.9
[M+CH3COO]- 585.17895 238.1
[M+Na-2H]- 547.13977 227.7
[M]+ 526.16455 234.5
[M]- 526.16565 234.5
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.