CID 501277

6-[(4-chlorophenyl)methyl]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C15H13ClN4
SMILES
C1=CC(=CC=C1CC2=CC3=C(C=C2)N=C(N=C3N)N)Cl
InChI
InChI=1S/C15H13ClN4/c16-11-4-1-9(2-5-11)7-10-3-6-13-12(8-10)14(17)20-15(18)19-13/h1-6,8H,7H2,(H4,17,18,19,20)
InChIKey
CARNPNOVLUBVBG-UHFFFAOYSA-N
Compound name
6-[(4-chlorophenyl)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

284.0829 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09018 164.9
[M+Na]+ 307.07212 175.5
[M-H]- 283.07562 169.3
[M+NH4]+ 302.11672 179.2
[M+K]+ 323.04606 167.8
[M+H-H2O]+ 267.08016 156.2
[M+HCOO]- 329.08110 182.2
[M+CH3COO]- 343.09675 176.2
[M+Na-2H]- 305.05757 171.2
[M]+ 284.08235 164.7
[M]- 284.08345 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe