CID 9569850

Brn 5166697

Structural Information

Molecular Formula
C24H21ClN6O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1/N=C(/C3=CC=C(C=C3)N(C)C)\N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H21ClN6O/c1-16-26-22-7-5-4-6-21(22)24(32)31(16)29-23(17-8-14-20(15-9-17)30(2)3)28-27-19-12-10-18(25)11-13-19/h4-15H,1-3H3/b28-27?,29-23-
InChIKey
CYZUKIJJEHHLMN-XEPJHKIBSA-N
Compound name
N-(4-chlorophenyl)imino-4-(dimethylamino)-N'-(2-methyl-4-oxoquinazolin-3-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.14655 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15383 210.1
[M+Na]+ 467.13577 218.5
[M-H]- 443.13927 223.0
[M+NH4]+ 462.18037 219.4
[M+K]+ 483.10971 212.6
[M+H-H2O]+ 427.14381 196.6
[M+HCOO]- 489.14475 232.9
[M+CH3COO]- 503.16040 219.8
[M+Na-2H]- 465.12122 215.8
[M]+ 444.14600 216.4
[M]- 444.14710 216.4
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.