CID 485850

Schembl11466028

Structural Information

Molecular Formula
C17H13Cl2N5
SMILES
C1=CC(=C(C=C1Cl)Cl)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N
InChI
InChI=1S/C17H13Cl2N5/c18-10-2-1-9(12(19)7-10)8-24-6-5-11-14(24)4-3-13-15(11)16(20)23-17(21)22-13/h1-7H,8H2,(H4,20,21,22,23)
InChIKey
VYMWMBWBOOAMSN-UHFFFAOYSA-N
Compound name
7-[(2,4-dichlorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

357.0548 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.06208 182.3
[M+Na]+ 380.04402 196.0
[M-H]- 356.04752 186.5
[M+NH4]+ 375.08862 195.9
[M+K]+ 396.01796 186.6
[M+H-H2O]+ 340.05206 173.3
[M+HCOO]- 402.05300 194.1
[M+CH3COO]- 416.06865 192.8
[M+Na-2H]- 378.02947 186.1
[M]+ 357.05425 186.4
[M]- 357.05535 186.4
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.