CID 6914626

6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C22H25N5O
SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)C4=CC=CC=C4N3CCCOC
InChI
InChI=1S/C22H25N5O/c1-3-17-20(21(23)26-22(24)25-17)14-9-10-16-15-7-4-5-8-18(15)27(19(16)13-14)11-6-12-28-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H4,23,24,25,26)
InChIKey
MLSVRCGEBXIIQO-UHFFFAOYSA-N
Compound name
6-ethyl-5-[9-(3-methoxypropyl)carbazol-2-yl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

375.2059 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.21318 194.2
[M+Na]+ 398.19512 204.4
[M-H]- 374.19862 199.0
[M+NH4]+ 393.23972 205.7
[M+K]+ 414.16906 196.7
[M+H-H2O]+ 358.20316 183.6
[M+HCOO]- 420.20410 214.3
[M+CH3COO]- 434.21975 203.8
[M+Na-2H]- 396.18057 197.0
[M]+ 375.20535 197.8
[M]- 375.20645 197.8
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