CID 9950868

Unii-in3wh41h3a

Structural Information

Molecular Formula
C22H26N4O
SMILES
CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H26N4O/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25)/b14-11+
InChIKey
NIHSNFSFDGHHRG-SDNWHVSQSA-N
Compound name
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

14
Patents

362.21066 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 190.7
[M+Na]+ 385.19988 196.4
[M-H]- 361.20338 196.1
[M+NH4]+ 380.24448 201.4
[M+K]+ 401.17382 190.8
[M+H-H2O]+ 345.20792 179.1
[M+HCOO]- 407.20886 212.2
[M+CH3COO]- 421.22451 226.0
[M+Na-2H]- 383.18533 195.8
[M]+ 362.21011 193.7
[M]- 362.21121 193.7
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

patents stripe