CID 9572277

Nsc710107

Structural Information

Molecular Formula
C30H25Cl2N5O2
SMILES
CC1=CC=C(C=C1)C2=CC(=NC(=N2)/N=C\3/C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C30H25Cl2N5O2/c1-19-2-4-20(5-3-19)25-17-26(21-6-8-22(31)9-7-21)34-30(33-25)35-28-24-16-23(32)10-11-27(24)37(29(28)38)18-36-12-14-39-15-13-36/h2-11,16-17H,12-15,18H2,1H3/b35-28-
InChIKey
HHTDMNZPYPMVFK-NUDFZHEQSA-N
Compound name
(3Z)-5-chloro-3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1-(morpholin-4-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

557.13855 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.14583 239.8
[M+Na]+ 580.12777 247.8
[M-H]- 556.13127 250.8
[M+NH4]+ 575.17237 240.7
[M+K]+ 596.10171 238.9
[M+H-H2O]+ 540.13581 223.4
[M+HCOO]- 602.13675 243.1
[M+CH3COO]- 616.15240 244.7
[M+Na-2H]- 578.11322 235.0
[M]+ 557.13800 241.5
[M]- 557.13910 241.5
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.