CID 24845121

103291-30-1

Structural Information

Molecular Formula
C19H29N5S
SMILES
CCCCCCCNC1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N
InChI
InChI=1S/C19H29N5S/c1-4-5-6-7-8-9-21-17-15-18(23-12-22-17)25-16-13(20)10-19(2,3)11-14(16)24-15/h12H,4-11,20H2,1-3H3,(H,21,22,23)
InChIKey
DFPVOTZMYIJEHH-UHFFFAOYSA-N
Compound name
4-N-heptyl-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

359.21436 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.22164 184.1
[M+Na]+ 382.20358 191.1
[M-H]- 358.20708 183.7
[M+NH4]+ 377.24818 197.1
[M+K]+ 398.17752 184.3
[M+H-H2O]+ 342.21162 174.9
[M+HCOO]- 404.21256 194.4
[M+CH3COO]- 418.22821 192.0
[M+Na-2H]- 380.18903 188.1
[M]+ 359.21381 185.6
[M]- 359.21491 185.6
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.