CID 3025485

Brn 0896997

Structural Information

Molecular Formula
C19H21ClN4
SMILES
CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C19H21ClN4/c1-23(2)11-12-24(13-15-7-9-16(20)10-8-15)19-17-5-3-4-6-18(17)21-14-22-19/h3-10,14H,11-13H2,1-2H3
InChIKey
KNMGPZACGXLJNY-UHFFFAOYSA-N
Compound name
N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.14548 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15276 181.0
[M+Na]+ 363.13470 187.8
[M-H]- 339.13820 187.6
[M+NH4]+ 358.17930 193.9
[M+K]+ 379.10864 182.5
[M+H-H2O]+ 323.14274 170.1
[M+HCOO]- 385.14368 199.0
[M+CH3COO]- 399.15933 191.2
[M+Na-2H]- 361.12015 187.2
[M]+ 340.14493 185.6
[M]- 340.14603 185.6
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.