CID 3025484

Brn 0896998

Structural Information

Molecular Formula
C19H21BrN4
SMILES
CN(C)CCN(CC1=CC=C(C=C1)Br)C2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C19H21BrN4/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
XBBLULRFZKRHJJ-UHFFFAOYSA-N
Compound name
N'-[(4-bromophenyl)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

384.09497 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10225 180.2
[M+Na]+ 407.08419 185.2
[M+NH4]+ 402.12879 185.1
[M+K]+ 423.05813 182.8
[M-H]- 383.08769 184.5
[M+Na-2H]- 405.06964 186.4
[M]+ 384.09442 181.1
[M]- 384.09552 181.1
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.