CID 9970143

1-[3-[[4-(1h-indazol-6-ylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C18H22N8O2
SMILES
COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)C=NN3)NCCCN4CCCC4=O
InChI
InChI=1S/C18H22N8O2/c1-28-18-23-16(19-7-3-9-26-8-2-4-15(26)27)22-17(24-18)21-13-6-5-12-11-20-25-14(12)10-13/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,25)(H2,19,21,22,23,24)
InChIKey
LJADXKBGJSUIJK-UHFFFAOYSA-N
Compound name
1-[3-[[4-(1H-indazol-6-ylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18658 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19386 185.6
[M+Na]+ 405.17580 192.9
[M-H]- 381.17930 188.5
[M+NH4]+ 400.22040 192.2
[M+K]+ 421.14974 186.3
[M+H-H2O]+ 365.18384 173.5
[M+HCOO]- 427.18478 202.9
[M+CH3COO]- 441.20043 193.5
[M+Na-2H]- 403.16125 188.5
[M]+ 382.18603 186.2
[M]- 382.18713 186.2
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.