CID 135463966

80761-75-7

Structural Information

Molecular Formula
C23H29N5S
SMILES
CC(CC1=CC=CC=C1)N=C2CC(CC3=C2SC4=NC=NC(=C4N3)N(C)C)(C)C
InChI
InChI=1S/C23H29N5S/c1-15(11-16-9-7-6-8-10-16)26-17-12-23(2,3)13-18-20(17)29-22-19(27-18)21(28(4)5)24-14-25-22/h6-10,14-15,27H,11-13H2,1-5H3
InChIKey
BXVOLFOTRUIXGA-UHFFFAOYSA-N
Compound name
N,N,7,7-tetramethyl-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

407.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22164 196.3
[M+Na]+ 430.20358 209.3
[M+NH4]+ 425.24818 205.8
[M+K]+ 446.17752 197.1
[M-H]- 406.20708 201.9
[M+Na-2H]- 428.18903 204.3
[M]+ 407.21381 200.4
[M]- 407.21491 200.4
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.