CID 2919733

5-(4-chlorophenyl)-n-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C18H11ClN4O2S
SMILES
C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H11ClN4O2S/c19-12-3-1-11(2-4-12)15-9-26-18-16(15)17(20-10-21-18)22-13-5-7-14(8-6-13)23(24)25/h1-10H,(H,20,21,22)
InChIKey
MAEBMSQHNQYCPM-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-N-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.0291 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03638 183.3
[M+Na]+ 405.01832 192.5
[M-H]- 381.02182 192.2
[M+NH4]+ 400.06292 195.0
[M+K]+ 420.99226 180.9
[M+H-H2O]+ 365.02636 178.7
[M+HCOO]- 427.02730 199.0
[M+CH3COO]- 441.04295 210.9
[M+Na-2H]- 403.00377 189.6
[M]+ 382.02855 186.6
[M]- 382.02965 186.6
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.