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 196.6
[M+Na]+ 430.20358 202.2
[M-H]- 406.20708 200.7
[M+NH4]+ 425.24818 207.6
[M+K]+ 446.17752 195.9
[M+H-H2O]+ 390.21162 185.6
[M+HCOO]- 452.21256 205.7
[M+CH3COO]- 466.22821 203.8
[M+Na-2H]- 428.18903 199.5
[M]+ 407.21381 196.2
[M]- 407.21491 196.2
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.