CID 135406315

80761-74-6

Structural Information

Molecular Formula
C21H25N5S
SMILES
CC1(CC2=C(C(=NCC3=CC=CC=C3)C1)SC4=NC=NC(=C4N2)N(C)C)C
InChI
InChI=1S/C21H25N5S/c1-21(2)10-15(22-12-14-8-6-5-7-9-14)18-16(11-21)25-17-19(26(3)4)23-13-24-20(17)27-18/h5-9,13,25H,10-12H2,1-4H3
InChIKey
MMJOGKPFBASVKD-UHFFFAOYSA-N
Compound name
9-benzylimino-N,N,7,7-tetramethyl-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.18307 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19035 188.5
[M+Na]+ 402.17229 202.3
[M+NH4]+ 397.21689 198.5
[M+K]+ 418.14623 189.7
[M-H]- 378.17579 194.4
[M+Na-2H]- 400.15774 197.2
[M]+ 379.18252 192.8
[M]- 379.18362 192.8
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.