CID 135770335

150391-68-7

Structural Information

Molecular Formula
C25H18BrClN6O
SMILES
CC1=C(C2=CC=CC=C2N1)/C(=N/N3C(=NC4=C(C3=O)C=C(C=C4)Br)C)/N=NC5=CC=CC=C5Cl
InChI
InChI=1S/C25H18BrClN6O/c1-14-23(17-7-3-5-9-20(17)28-14)24(31-30-22-10-6-4-8-19(22)27)32-33-15(2)29-21-12-11-16(26)13-18(21)25(33)34/h3-13,28H,1-2H3/b31-30?,32-24-
InChIKey
IIWLNGOLZXTXOC-LEQORUCFSA-N
Compound name
N'-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)imino-2-methyl-1H-indole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.0414 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.04868 219.3
[M+Na]+ 555.03062 227.4
[M+NH4]+ 550.07522 223.0
[M+K]+ 571.00456 224.3
[M-H]- 531.03412 225.1
[M+Na-2H]- 553.01607 224.9
[M]+ 532.04085 221.4
[M]- 532.04195 221.4
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.