CID 177990

Antalarmin

Structural Information

Molecular Formula
C24H34N4
SMILES
CCCCN(CC)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C)C)C
InChI
InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
InChIKey
IXPROWGEHNVJOY-UHFFFAOYSA-N
Compound name
N-butyl-N-ethyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

282
References

919
Patents

378.27835 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28563 200.8
[M+Na]+ 401.26757 211.9
[M-H]- 377.27107 207.1
[M+NH4]+ 396.31217 213.6
[M+K]+ 417.24151 205.5
[M+H-H2O]+ 361.27561 190.7
[M+HCOO]- 423.27655 220.9
[M+CH3COO]- 437.29220 234.5
[M+Na-2H]- 399.25302 198.5
[M]+ 378.27780 209.4
[M]- 378.27890 209.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe