CID 5279669

Schembl8285787

Structural Information

Molecular Formula
C24H27N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4=CC=C(C=C4)CCN)C)C
InChI
InChI=1S/C24H27N5O/c1-15-12-16(2)23-21(13-15)29(14-20-22(30)9-4-17(3)26-20)24(28-23)27-19-7-5-18(6-8-19)10-11-25/h4-9,12-13,30H,10-11,14,25H2,1-3H3,(H,27,28)
InChIKey
LPQNAQRVBCFLIQ-UHFFFAOYSA-N
Compound name
2-[[2-[4-(2-aminoethyl)anilino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

401.22156 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22884 202.1
[M+Na]+ 424.21078 211.8
[M-H]- 400.21428 208.7
[M+NH4]+ 419.25538 211.0
[M+K]+ 440.18472 203.2
[M+H-H2O]+ 384.21882 191.0
[M+HCOO]- 446.21976 222.2
[M+CH3COO]- 460.23541 211.1
[M+Na-2H]- 422.19623 203.2
[M]+ 401.22101 204.6
[M]- 401.22211 204.6
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

patents stripe