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 183.0
[M+Na]+ 407.08419 191.4
[M-H]- 383.08769 192.0
[M+NH4]+ 402.12879 197.1
[M+K]+ 423.05813 179.8
[M+H-H2O]+ 367.09223 178.4
[M+HCOO]- 429.09317 203.1
[M+CH3COO]- 443.10882 194.7
[M+Na-2H]- 405.06964 190.4
[M]+ 384.09442 203.6
[M]- 384.09552 203.6
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.