CID 135463970

80761-78-0

Structural Information

Molecular Formula
C22H27N5S
SMILES
CC(CC1=CC=CC=C1)N=C2CC(CC3=C2SC4=NC=NC(=C4N3)NC)(C)C
InChI
InChI=1S/C22H27N5S/c1-14(10-15-8-6-5-7-9-15)26-16-11-22(2,3)12-17-19(16)28-21-18(27-17)20(23-4)24-13-25-21/h5-9,13-14,27H,10-12H2,1-4H3,(H,23,24,25)
InChIKey
NMZDCTSOGDMVCV-UHFFFAOYSA-N
Compound name
N,7,7-trimethyl-9-(1-phenylpropan-2-ylimino)-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

393.19873 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20601 192.5
[M+Na]+ 416.18795 205.5
[M+NH4]+ 411.23255 202.0
[M+K]+ 432.16189 193.0
[M-H]- 392.19145 197.8
[M+Na-2H]- 414.17340 200.4
[M]+ 393.19818 196.5
[M]- 393.19928 196.5
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.