CID 22706934

Dtxsid701036223

Structural Information

Molecular Formula
C31H46N2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)N=C=NC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C31H46N2/c1-18(2)24-13-26(20(5)6)30(27(14-24)21(7)8)32-17-33-31-28(22(9)10)15-25(19(3)4)16-29(31)23(11)12/h13-16,18-23H,1-12H3
InChIKey
WRWZSGSJXXFJOZ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

446.3661 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.37338 218.1
[M+Na]+ 469.35532 221.2
[M-H]- 445.35882 226.6
[M+NH4]+ 464.39992 228.9
[M+K]+ 485.32926 217.6
[M+H-H2O]+ 429.36336 209.0
[M+HCOO]- 491.36430 236.0
[M+CH3COO]- 505.37995 256.7
[M+Na-2H]- 467.34077 207.8
[M]+ 446.36555 222.8
[M]- 446.36665 222.8
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