CID 380843

Nsc666583

Structural Information

Molecular Formula
C19H16ClN5
SMILES
CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NN)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H16ClN5/c1-12-2-8-15(9-3-12)25-10-16(13-4-6-14(20)7-5-13)17-18(24-21)22-11-23-19(17)25/h2-11H,21H2,1H3,(H,22,23,24)
InChIKey
UEMNOEQOZQKKOV-UHFFFAOYSA-N
Compound name
[5-(4-chlorophenyl)-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.10944 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11672 182.4
[M+Na]+ 372.09866 194.0
[M-H]- 348.10216 189.8
[M+NH4]+ 367.14326 194.5
[M+K]+ 388.07260 185.0
[M+H-H2O]+ 332.10670 171.7
[M+HCOO]- 394.10764 200.9
[M+CH3COO]- 408.12329 193.2
[M+Na-2H]- 370.08411 187.3
[M]+ 349.10889 185.2
[M]- 349.10999 185.2
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.