CID 13383655

1,4-pentanediamine, n(sup 4)-(7-chloro-2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-quinazolinyl)-n(sup 1),n(sup 1)-diethyl-, dihydrochloride

Structural Information

Molecular Formula
C27H35ClN4O2
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=CC(=C2)Cl)/C=C/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C27H35ClN4O2/c1-6-32(7-2)16-8-9-19(3)29-27-22-13-12-21(28)18-23(22)30-26(31-27)15-11-20-10-14-24(33-4)25(17-20)34-5/h10-15,17-19H,6-9,16H2,1-5H3,(H,29,30,31)/b15-11+
InChIKey
NOEYFWGBZHKZRJ-RVDMUPIBSA-N
Compound name
4-N-[7-chloro-2-[(E)-2-(3,4-dimethoxyphenyl)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

482.24484 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.25212 223.4
[M+Na]+ 505.23406 228.8
[M-H]- 481.23756 228.4
[M+NH4]+ 500.27866 230.4
[M+K]+ 521.20800 222.2
[M+H-H2O]+ 465.24210 211.7
[M+HCOO]- 527.24304 237.6
[M+CH3COO]- 541.25869 249.3
[M+Na-2H]- 503.21951 222.9
[M]+ 482.24429 232.0
[M]- 482.24539 232.0
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.