CID 6475847

5-[(z)-styryl]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C16H14N4
SMILES
C1=CC=C(C=C1)/C=C\C2=C3C(=CC=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H14N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-10H,(H4,17,18,19,20)/b10-9-
InChIKey
YPIDSPOROIRHIL-KTKRTIGZSA-N
Compound name
5-[(Z)-2-phenylethenyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.12186 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12914 161.1
[M+Na]+ 285.11108 169.9
[M-H]- 261.11458 165.4
[M+NH4]+ 280.15568 175.1
[M+K]+ 301.08502 162.8
[M+H-H2O]+ 245.11912 151.6
[M+HCOO]- 307.12006 183.0
[M+CH3COO]- 321.13571 172.2
[M+Na-2H]- 283.09653 168.3
[M]+ 262.12131 157.8
[M]- 262.12241 157.8
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.