CID 24845129

103291-31-2

Structural Information

Molecular Formula
C19H21N5S
SMILES
CC1(CC(=C2C(=NC3=C(N=CN=C3S2)NCC4=CC=CC=C4)C1)N)C
InChI
InChI=1S/C19H21N5S/c1-19(2)8-13(20)16-14(9-19)24-15-17(22-11-23-18(15)25-16)21-10-12-6-4-3-5-7-12/h3-7,11H,8-10,20H2,1-2H3,(H,21,22,23)
InChIKey
PAMMQFHPAWUNSA-UHFFFAOYSA-N
Compound name
4-N-benzyl-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.15176 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15904 179.7
[M+Na]+ 374.14098 194.4
[M+NH4]+ 369.18558 190.0
[M+K]+ 390.11492 181.8
[M-H]- 350.14448 185.7
[M+Na-2H]- 372.12643 189.1
[M]+ 351.15121 184.3
[M]- 351.15231 184.3
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.