CID 6446374

Brn 0771824

Structural Information

Molecular Formula
C25H30ClN5O2
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=CC(=C2)Cl)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C25H30ClN5O2/c1-4-30(5-2)16-6-7-18(3)27-25-22-14-11-20(26)17-23(22)28-24(29-25)15-10-19-8-12-21(13-9-19)31(32)33/h8-15,17-18H,4-7,16H2,1-3H3,(H,27,28,29)/b15-10+
InChIKey
ZATUQNUTGQKMEC-XNTDXEJSSA-N
Compound name
4-N-[7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.2088 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.21608 216.4
[M+Na]+ 490.19802 219.5
[M-H]- 466.20152 221.0
[M+NH4]+ 485.24262 222.5
[M+K]+ 506.17196 208.7
[M+H-H2O]+ 450.20606 209.5
[M+HCOO]- 512.20700 231.8
[M+CH3COO]- 526.22265 239.4
[M+Na-2H]- 488.18347 219.3
[M]+ 467.20825 219.6
[M]- 467.20935 219.6
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.