CID 124220

55486-13-0

Structural Information

Molecular Formula
C20H18N2O
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NN
InChI
InChI=1S/C20H18N2O/c21-22-18(23)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6,21H2,(H,22,23)
InChIKey
SOPPDVMSOKMZOC-UHFFFAOYSA-N
Compound name
4-pyren-1-ylbutanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

135
Patents

302.1419 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14918 170.0
[M+Na]+ 325.13112 177.3
[M-H]- 301.13462 174.2
[M+NH4]+ 320.17572 187.6
[M+K]+ 341.10506 171.3
[M+H-H2O]+ 285.13916 161.6
[M+HCOO]- 347.14010 190.7
[M+CH3COO]- 361.15575 180.7
[M+Na-2H]- 323.11657 179.0
[M]+ 302.14135 172.3
[M]- 302.14245 172.3
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