CID 121371196

Ask120067

Structural Information

Molecular Formula
C29H32ClN7O2
SMILES
CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=C(C(=N2)NC3=CC4=CC=CC=C4C=C3)Cl)OC
InChI
InChI=1S/C29H32ClN7O2/c1-6-27(38)33-23-16-24(26(39-5)17-25(23)37(4)14-13-36(2)3)34-29-31-18-22(30)28(35-29)32-21-12-11-19-9-7-8-10-20(19)15-21/h6-12,15-18H,1,13-14H2,2-5H3,(H,33,38)(H2,31,32,34,35)
InChIKey
QHPVTCLSVVUPOF-UHFFFAOYSA-N
Compound name
N-[5-[[5-chloro-4-(naphthalen-2-ylamino)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

545.2306 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.23788 235.6
[M+Na]+ 568.21982 248.4
[M+NH4]+ 563.26442 240.6
[M+K]+ 584.19376 239.7
[M-H]- 544.22332 244.0
[M+Na-2H]- 566.20527 243.8
[M]+ 545.23005 239.9
[M]- 545.23115 239.9
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