CID 9604768

1-[4-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone hydrazone

Structural Information

Molecular Formula
C19H21N5S
SMILES
CC1=NC(=C2C3=C(CCCC3)SC2=N1)NC4=CC=C(C=C4)/C(=N/N)/C
InChI
InChI=1S/C19H21N5S/c1-11(24-20)13-7-9-14(10-8-13)23-18-17-15-5-3-4-6-16(15)25-19(17)22-12(2)21-18/h7-10H,3-6,20H2,1-2H3,(H,21,22,23)/b24-11+
InChIKey
DRTWKUVKSCPPBQ-BHGWPJFGSA-N
Compound name
N-(4-ethanehydrazonoylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.15176 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15904 178.6
[M+Na]+ 374.14098 186.9
[M-H]- 350.14448 185.5
[M+NH4]+ 369.18558 193.3
[M+K]+ 390.11492 180.3
[M+H-H2O]+ 334.14902 169.8
[M+HCOO]- 396.14996 195.9
[M+CH3COO]- 410.16561 188.9
[M+Na-2H]- 372.12643 182.2
[M]+ 351.15121 179.3
[M]- 351.15231 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.