CID 376881

Nsc658001

Structural Information

Molecular Formula
C23H18N4O3S
SMILES
CC1=NN(C2=C1C(SC(=N2)N)C3=C(C4=CC=CC=C4C=C3)O)C(=O)C5=CC=CC=C5O
InChI
InChI=1S/C23H18N4O3S/c1-12-18-20(16-11-10-13-6-2-3-7-14(13)19(16)29)31-23(24)25-21(18)27(26-12)22(30)15-8-4-5-9-17(15)28/h2-11,20,28-29H,1H3,(H2,24,25)
InChIKey
HUMLAPTUTYGIRN-UHFFFAOYSA-N
Compound name
[6-amino-4-(1-hydroxynaphthalen-2-yl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.10995 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11723 200.8
[M+Na]+ 453.09917 211.4
[M-H]- 429.10267 207.1
[M+NH4]+ 448.14377 209.3
[M+K]+ 469.07311 203.3
[M+H-H2O]+ 413.10721 191.9
[M+HCOO]- 475.10815 211.9
[M+CH3COO]- 489.12380 209.2
[M+Na-2H]- 451.08462 201.2
[M]+ 430.10940 203.4
[M]- 430.11050 203.4
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.