CID 3059833

77301-04-3

Structural Information

Molecular Formula
C20H22N4OS
SMILES
CCN(CCN1C(=NC2=CC=CC=C2C1=O)C)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C20H22N4OS/c1-3-23(20(26)22-16-9-5-4-6-10-16)13-14-24-15(2)21-18-12-8-7-11-17(18)19(24)25/h4-12H,3,13-14H2,1-2H3,(H,22,26)
InChIKey
BTPFZJXDJVKDTF-UHFFFAOYSA-N
Compound name
1-ethyl-1-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15143 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15871 185.3
[M+Na]+ 389.14065 199.0
[M+NH4]+ 384.18525 192.8
[M+K]+ 405.11459 188.9
[M-H]- 365.14415 190.6
[M+Na-2H]- 387.12610 193.6
[M]+ 366.15088 189.2
[M]- 366.15198 189.2
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.