CID 505747

Kvapdxassrxece-uhfffaoysa-n

Structural Information

Molecular Formula
C16H18N6O2S
SMILES
CN(CCO)C(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)NN=C3)SC
InChI
InChI=1S/C16H18N6O2S/c1-22(5-6-23)15(24)12-9-17-16(25-2)20-14(12)19-11-3-4-13-10(7-11)8-18-21-13/h3-4,7-9,23H,5-6H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKey
KVAPDXASSRXECE-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-4-(1H-indazol-5-ylamino)-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

358.1212 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12848 180.0
[M+Na]+ 381.11042 188.5
[M-H]- 357.11392 182.3
[M+NH4]+ 376.15502 189.7
[M+K]+ 397.08436 182.6
[M+H-H2O]+ 341.11846 170.9
[M+HCOO]- 403.11940 194.7
[M+CH3COO]- 417.13505 189.2
[M+Na-2H]- 379.09587 183.1
[M]+ 358.12065 184.1
[M]- 358.12175 184.1
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

patents stripe