CID 5377088

Pyren-1-ylmethylene-hydrazine

Structural Information

Molecular Formula
C17H12N2
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)/C=N/N
InChI
InChI=1S/C17H12N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H,18H2/b19-10+
InChIKey
AIYIPTFRVFQOMC-VXLYETTFSA-N
Compound name
(E)-pyren-1-ylmethylidenehydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10005 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10733 152.0
[M+Na]+ 267.08927 161.7
[M-H]- 243.09277 158.3
[M+NH4]+ 262.13387 173.0
[M+K]+ 283.06321 155.9
[M+H-H2O]+ 227.09731 144.0
[M+HCOO]- 289.09825 176.3
[M+CH3COO]- 303.11390 165.2
[M+Na-2H]- 265.07472 164.2
[M]+ 244.09950 154.4
[M]- 244.10060 154.4
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